SCHEMBL588610

SCHEMBL588610

[c]1cccc2nn3ccccc3c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.35
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
MIF P14174 2/20 0.33
PDE5A O76074 2/20 0.33
PDE4B Q07343 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
PDE4A P27815 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL590654 0.75 EGFR (0.35) EGFRADORA2AADORA1MIFPDE5A
SCHEMBL51669 0.75 KDM4E (0.41) EGFRADORA2AADORA1MIFPDE5A
SCHEMBL534883 0.73
SCHEMBL588347 0.70 EGFR (0.34) EGFRADORA2AADORA1MIFPDE5A
SCHEMBL589112 0.70 EGFR (0.34) EGFRADORA2AADORA1MIFPDE5A
SCHEMBL588359 0.69 MPO (0.34) ALDH1A1TSHRNPSR1
SCHEMBL588416 0.64 KDM4E (0.36) ALDH1A1NPSR1
SCHEMBL720139 0.63 GPR3 (0.54) ALDH1A1CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL1841274 0.63 EGFR (0.51) EGFRADORA2AADORA1MIFPDE5A
Hydrochloric Acid SCHEMBL3319819 0.62 EGFR (0.50) EGFRADORA2AADORA1MIFPDE5A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 329 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711768-B1 BENZIMIDAZOLE DERIVATIVE MITSUI CHEMICALS INC (JP) 2002-02-13 EP claimed
US-20240237514-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME AND COMPOSITION FOR ORGANIC MATERIAL LAYER LT MATERIALS CO., LTD. (KR) 2024-07-11 US disclosed
US-20240237512-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2024-07-11 US disclosed
US-20240237516-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LT MATERIALS CO., LTD. (KR) 2024-07-11 US disclosed
US-12018022-B2 Heterocyclic compound, organic light emitting diode comprising same, composition for organic layer of organic light emitting diode, and method for manufacturing organic light emitting diode LT MATERIALS CO., LTD. (KR) 2024-06-25 US disclosed
WO-2024128540-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME, AND COMPOSITION FOR ORGANIC MATERIAL LAYER 엘티소재주식회사 2024-06-20 WO disclosed
US-20240206205-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, AND COMPOSITION FOR ORGANIC LAYER LT MATERIALS CO., LTD. (KR) 2024-06-20 US disclosed
US-20240206324-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, MANUFACTURING METHOD THEREFOR, AND COMPOSITION FOR ORGANIC LAYER LT MATERIALS CO., LTD. (KR) 2024-06-20 US disclosed
EP-4378939-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, AND COMPOSITION FOR ORGANIC LAYER LT Materials Co., Ltd. (KR) 2024-06-05 EP disclosed
US-12004420-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2024-06-04 US disclosed
US-20140088066-A1 PLATINUM COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER BLEND THERAPEUTICS (US) 2014-03-27 US disclosed
US-20120097937-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE UTILIZING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-04-26 US disclosed
US-8114530-B2 Material for organic electroluminescence device and organic electroluminescence device utilizing the same IDEMITSU KOSAN CO., LTD. (JP) 2012-02-14 US disclosed
US-7968213-B2 Material for organic electroluminescence device and organic electroluminescence device utilizing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-06-28 US disclosed
EP-2166583-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ORGANIC ELECTROLUMINESCENCE ELEMENT PREPARED BY USING THE MATERIAL Idemitsu Kosan Co., Ltd. (JP) 2010-03-24 EP disclosed
EP-2166584-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ORGANIC ELECTROLUMINESCENCE ELEMENT PREPARED BY USING THE MATERIAL Idemitsu Kosan Co., Ltd. (JP) 2010-03-24 EP disclosed
US-20090017331-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE UTILIZING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-01-15 US disclosed
US-20090017330-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE UTILIZING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-01-15 US disclosed
EP-0851865-B1 12H-Dibenzo[d,g][1,3]dioxocine derivatives NOVO NORDISK AS (DK) 2002-07-17 EP disclosed
US-5972925-A 1-(3-(2-CHLORO-12H-DIBENZO(D,G)(1,3,6)DIOXAZOCIN-12-YL)-1-PROP YL)-3-PIPERIDINECARBOXYLIC ACID, FOR EXAMPLE; TREATING NEUROGENIC PAIN (IN WHICH C-FIBERS PLAY A ROLE) OR INFLAMMATION SUCH AS MIGRAINE OR DIABETIC NEUROPATHY NOVO NORDISK A/S (DK) 1999-10-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12018022-B2 Heterocyclic compound, organic light emitting diode comprising same, composition for organic layer of organic light emitting diode, and method for manufacturing organic light emitting diode ODC1, AOX1, CYP1B1 EGFR 3462/4885ADORA2A 3452/4885ADORA1 2017/4885
US-20140088066-A1 PLATINUM COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER APEX1, DPYD, VHL EGFR 893/4885ADORA2A 3035/4885ADORA1 3747/4885
US-20240206205-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, AND COMPOSITION FOR ORGANIC LAYER CRY1, ORC3, CYP1A1 EGFR 3514/4885ADORA2A 3093/4885ADORA1 1342/4885
US-20240237516-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CCNL2, CRY1, CRY2 EGFR 3076/4885ADORA2A 1889/4885ADORA1 542/4885
US-20090017330-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE UTILIZING THE SAME ICMT, ORAI2, ILK EGFR 3401/4885ADORA2A 3760/4885ADORA1 3871/4885
US-20240237512-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CRY1, SUN2, CRY2 EGFR 4156/4885ADORA2A 2777/4885ADORA1 3915/4885
US-20090017331-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE UTILIZING THE SAME ICMT, ORAI2, ILK EGFR 3401/4885ADORA2A 3760/4885ADORA1 3871/4885
US-20240237514-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME AND COMPOSITION FOR ORGANIC MATERIAL LAYER CYP1A1, CYP1B1, CYP2E1 EGFR 3859/4885ADORA2A 2722/4885ADORA1 1402/4885
US-20240206324-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, MANUFACTURING METHOD THEREFOR, AND COMPOSITION FOR ORGANIC LAYER CYP1B1, CYP4F11, CYP1A1 EGFR 3483/4885ADORA2A 4028/4885ADORA1 1672/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.