SCHEMBL10073332

SCHEMBL10073332

Cc1cc(-c2cccnc2)nc(-c2cccnc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.68
CYP19A1 P11511 2/20 0.67
CYP3A4 P08684 4/20 0.59
CYP2E1 P05181 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2B6 P20813 2/20 0.56
CYP2C19 P33261 2/20 0.56
ALK Q9UM73 1/20 0.56
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 2/20 0.54
KARS1 Q15046 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
ABL1 P00519 1/20 0.50
BCR P11274 1/20 0.50
KMT2A Q03164 1/20 0.50
AXL P30530 1/20 0.49
PBRM1 Q86U86 1/20 0.49
MKNK1 Q9BUB5 1/20 0.49

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
SCHEMBL11996131 0.94 CYP19A1 (0.71) CYP2A6CYP19A1CYP3A4CYP2E1CYP2C9
SCHEMBL11996130 0.93 CYP2A6 (0.60) CYP2A6CYP19A1CYP3A4CYP2E1CYP2C9
SCHEMBL1797323 0.91 CYP2A6 (0.64) CYP2A6CYP19A1CYP3A4CYP2E1CYP2C9
SCHEMBL11996128 0.87 CYP2A6 (0.65) CYP2A6CYP19A1CYP3A4CYP2E1CYP2C9
SCHEMBL16871021 0.85 CYP19A1 (0.74) CYP2A6CYP19A1CYP3A4CYP2E1CYP2C9
SCHEMBL14297259 0.84 CYP19A1 (0.62) CYP2A6CYP19A1CYP3A4CYP2E1CYP2C9
SCHEMBL18267891 0.84 CYP19A1 (0.67) CYP2A6CYP19A1CYP3A4CYP2C19ALK
SCHEMBL15749895 0.84 CYP19A1 (0.67) CYP2A6CYP19A1CYP3A4ALKALDH1A1
SCHEMBL2666350 0.81 CYP2A6 (1.00) CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6
SCHEMBL19164443 0.80 CYP2A6 (0.56) CYP2A6CYP19A1CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210296596-A1 COMPOUND HAVING NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING STRUCTURE, AND MATERIAL FOR ORGANIC LIGHT-EMITTING-DIODE, ELECTRON TRANPORT MATERIAL, AND ORGANIC LIGHT-EMITTING-DIODE USING THE SAME FLASK CORPORATION (JP) 2021-09-23 US disclosed
US-9624193-B2 Cyclic azine derivatives, processes for producing these, and organic electroluminescent element containing these as component TOSOH CORPORATION (JP) 2017-04-18 US disclosed
US-9624193-B2 Cyclic azine derivatives, processes for producing these, and organic electroluminescent element containing these as component TOSOH CORPORATION (JP) 2017-04-18 US disclosed
US-9120773-B2 Cyclic azine derivatives, processes for producing these, and organic electroluminescent element containing these as component TOSOH CORPORATION (JP) 2015-09-01 US disclosed
US-9120773-B2 Cyclic azine derivatives, processes for producing these, and organic electroluminescent element containing these as component TOSOH CORPORATION (JP) 2015-09-01 US disclosed
US-20120214993-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT SAGAMI CHEMICAL RESEARCH INSTITUTE, (JP) 2012-08-23 US disclosed
EP-2468731-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT Tosoh Corporation (JP) 2012-06-27 EP disclosed
US-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-20100051106-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-03-04 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 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 (4 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-20100051106-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same RPL36, RPL39, RPL36A CYP2A6 1613/4885CYP19A1 1235/4885CYP3A4 2263/4885
US-20210296596-A1 COMPOUND HAVING NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING STRUCTURE, AND MATERIAL FOR ORGANIC LIGHT-EMITTING-DIODE, ELECTRON TRANPORT MATERIAL, AND ORGANIC LIGHT-EMITTING-DIODE USING THE SAME SLC7A5, OCIAD2, TNPO1 CYP2A6 1815/4885CYP19A1 1017/4885CYP3A4 793/4885
US-20120214993-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT CPNE4, EPB41, AZI2 CYP2A6 3586/4885CYP19A1 769/4885CYP3A4 2522/4885
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, OCIAD2, OCIAD1 CYP2A6 1911/4885CYP19A1 1424/4885CYP3A4 1409/4885

“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.