SCHEMBL3426229

SCHEMBL3426229

Cc1ccc(-c2ccc(C)nc2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.61
CYP2A6 P11509 1/20 0.61
HDAC6 Q9UBN7 2/20 0.60
CCR1 P32246 1/20 0.60
CCR5 P51681 1/20 0.60
CCR8 P51685 1/20 0.60
METAP2 P50579 1/20 0.44
HPGDS O60760 1/20 0.43
PTGS2 P35354 4/20 0.42
KDM1A O60341 1/20 0.41
GRIA2 P42262 1/20 0.40
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
PIM1 P11309 2/20 0.39
SLC22A12 Q96S37 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 1/20 0.37
P2RX7 Q99572 1/20 0.36

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
SCHEMBL17051523 0.92 CCR1 (0.56) CYP3A4CYP2A6HDAC6CCR1CCR5
SCHEMBL14445368 0.90 CYP3A4 (0.50) CYP3A4CYP2A6HDAC6CCR1CCR5
SCHEMBL14804380 0.89 CCR1 (0.76) CYP3A4CYP2A6HDAC6CCR1CCR5
SCHEMBL15498024 0.89 HPGDS (0.47) CYP3A4CYP2A6HDAC6CCR1CCR5
SCHEMBL17051548 0.88 KDM1A (0.49) CYP3A4CYP2A6HDAC6CCR1CCR5
SCHEMBL17051522 0.87 CCR1 (0.65) CYP3A4CYP2A6HDAC6CCR1CCR5
SCHEMBL15025820 0.87 CYP3A4 (0.49) CYP3A4CYP2A6HDAC6CCR1CCR5
SCHEMBL17051556 0.86 CCR1 (0.59) CYP3A4CYP2A6HDAC6CCR1CCR5
SCHEMBL17051563 0.86 CYP3A4 (0.47) CYP3A4CYP2A6HDAC6CCR1CCR5
SCHEMBL17051588 0.85 CCR1 (0.57) CYP3A4CYP2A6HDAC6CCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11779018-B2 Heterocyclic compound and arthropod pest control composition containing same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-10-10 US disclosed
WO-2023182835-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 솔루스첨단소재 주식회사 2023-09-28 WO disclosed
US-11171293-B2 Organic electroluminescent element, material for organic electroluminescent element, light emitting device, display device and lighting device each using said element, and compound used for said element UDC IRELAND LIMITED (IE) 2021-11-09 US disclosed
US-10454042-B2 Organic electroluminescence device UDC IRELAND LIMITED (IE) 2019-10-22 US disclosed
US-10038143-B2 Polymer compound, material for electronic elements, material for organic electroluminescent elements, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2018-07-31 US disclosed
US-9927625-B2 Birefringent lens material for stereoscopic image display device and method for producing birefringent lens for stereoscopic image display device DIC CORPORATION (JP) 2018-03-27 US disclosed
EP-2504871-B1 ORGANIC ELECTRONIC DEVICE COMPRISING AN ORGANIC SEMICONDUCTING MATERIAL NOVALED GMBH (DE) 2017-03-22 EP disclosed
US-20170071921-A1 MCL-1 MODULATING COMPOUNDS FOR CANCER TREATMENT CENTRE REGIONAL DE LUTTE CONTRE LE CANCER FRANCOIS BACLESSE (FR) 2017-03-16 US disclosed
US-20160308145-A1 LIGHT-EMITTING MATERIAL, AND DELAYED FLUORESCENT EMITTER AND ORGANIC LIGHT-EMITTING DEVICE USING SAME KYULUX, INC. (JP) 2016-10-20 US disclosed
US-20160308145-A1 LIGHT-EMITTING MATERIAL, AND DELAYED FLUORESCENT EMITTER AND ORGANIC LIGHT-EMITTING DEVICE USING SAME KYULUX, INC. (JP) 2016-10-20 US disclosed
EP-1956022-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT Nippon Steel Chemical Co., Ltd. (JP) 2008-08-13 EP disclosed
US-7259229-B2 Electroactive fluorene polymers having perfluoralkyl groups, process for preparing such polymers and devices made with such polymers E.I. DU PONT DE NEMOURS AND COMPANY (US) 2007-08-21 US disclosed
US-7259229-B2 Electroactive fluorene polymers having perfluoralkyl groups, process for preparing such polymers and devices made with such polymers E.I. DU PONT DE NEMOURS AND COMPANY (US) 2007-08-21 US disclosed
US-7230070-B2 Electroactive fluorene copolymers and devices made with such polymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-06-12 US disclosed
US-7230070-B2 Electroactive fluorene copolymers and devices made with such polymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-06-12 US disclosed
US-7220820-B2 Electroactive fluorene copolymers and devices made with such polymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-05-22 US disclosed
US-7214763-B2 Electroactive fluorene copolymers and devices made with such polymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-05-08 US disclosed
US-7211643-B2 Electroactive fluorene copolymers and devices made with such polymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-05-01 US disclosed
US-7183365-B2 Electroactive fluorene polymers having perfluoroalkyl groups, process for preparing such polymers and devices made with such polymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-27 US disclosed
US-7183366-B2 Aromatic copolymers from dihalofluorene compounds and another dihalo- or diborono- aromatic monomers; organic electroluminescent polymers for use in light-emitting diodes E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-27 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 (5 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-11779018-B2 Heterocyclic compound and arthropod pest control composition containing same C5, PRXL2A, NOX3 CYP3A4 315/4885CYP2A6 322/4885HDAC6 1195/4885
US-11171293-B2 Organic electroluminescent element, material for organic electroluminescent element, light emitting device, display device and lighting device each using said element, and compound used for said element L1CAM, OR10J3, INTS9 CYP3A4 1598/4885CYP2A6 2579/4885HDAC6 4774/4885
US-20160308145-A1 LIGHT-EMITTING MATERIAL, AND DELAYED FLUORESCENT EMITTER AND ORGANIC LIGHT-EMITTING DEVICE USING SAME NR2E3, CRY1, ARL1 CYP3A4 793/4885CYP2A6 2267/4885HDAC6 3565/4885
US-20170071921-A1 MCL-1 MODULATING COMPOUNDS FOR CANCER TREATMENT MCL1, BCL2A1, BCL2L1 CYP3A4 3877/4885CYP2A6 3028/4885HDAC6 903/4885
US-10454042-B2 Organic electroluminescence device EML4, ELOC, ORC3 CYP3A4 477/4885CYP2A6 4115/4885HDAC6 1851/4885

“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.