SCHEMBL14330563

SCHEMBL14330563

c1cc(-c2ccncc2)nc(-n2c3ccncc3c3c4ccc5cccc6ccc(cc32)c4c65)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.36
▸ CYP1A2 P05177 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ AR P10275 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ERBB2 P04626 1/20 0.32
▸ FYN P06241 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ AHR P35869 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ PRKCB P05771 1/20 0.31
▸ PRKCA P17252 1/20 0.31
▸ PRKCH P24723 1/20 0.31

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
SCHEMBL14330599 0.91 MAPT (0.34) MAPTCYP1A2NPC1CYP3A4AR
SCHEMBL14330518 0.82 NPC1 (0.34) MAPTCYP1A2NPC1CYP3A4AR
SCHEMBL14330564 0.81 DYRK1A (0.34) MAPTKDM4EALDH1A1HPGD
SCHEMBL14329644 0.78 NPC1 (0.33) MAPTCYP1A2NPC1CYP3A4AR
SCHEMBL14330540 0.78 MAOA (0.40) CYP1A2CYP2D6ERBB2FYNMAOA
SCHEMBL14330561 0.77 TNF (0.37) CYP1A2CYP3A4CYP2D6CYP2C9ERBB2
SCHEMBL14329646 0.77 KCNH2 (0.34) MAPTPRKCHPRKCEPRKCQPRKCD
SCHEMBL14330538 0.76 MAOA (0.44) CYP1A2CYP2C9CYP2C19ERBB2FYN
SCHEMBL4562405 0.74 MAOA (0.37) CYP1A2CYP2D6ERBB2FYNMAOA
SCHEMBL4561522 0.74 MAOA (0.37) CYP1A2CYP2D6ERBB2FYNMAOA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623521-B2 Heterocyclic compound and organic light-emitting diode and flat display device including the heterocyclic compound SAMSUNG DISPLAY CO., LTD. (KR) 2014-01-07 — — US disclosed
US-8623521-B2 Heterocyclic compound and organic light-emitting diode and flat display device including the heterocyclic compound SAMSUNG DISPLAY CO., LTD. (KR) 2014-01-07 — — US disclosed
US-20120326134-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2012-12-27 — — US disclosed
US-20120326134-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2012-12-27 — — 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 (1 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-20120326134-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND DDT, DRD1, HTR3D MAPT 1026/4885CYP1A2 60/4885NPC1 2213/4885

“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.

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