SCHEMBL3409401

SCHEMBL3409401

CN(c1cccnc1)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 2/20 0.49
▸ CHRNB2 P17787 3/20 0.48
▸ CHRNA4 P43681 3/20 0.48
▸ CYP2A6 P11509 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CHRNA7 P36544 1/20 0.45
▸ GRM5 P41594 4/20 0.44

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
Hydrochloric Acid SCHEMBL4024971 0.98 KCNA5 (0.47) KCNA5CHRNB2CHRNA4CYP2A6ALDH1A1
SCHEMBL5075470 0.93 KCNA5 (0.50) KCNA5CHRNB2CHRNA4CYP2A6ALDH1A1
SCHEMBL12947815 0.88 RAB9A (0.45) KCNA5CHRNB2CHRNA4CYP2A6ALDH1A1
SCHEMBL27549059 0.87 KCNA5 (0.51) KCNA5CHRNB2CHRNA4CYP2A6ALDH1A1
SCHEMBL6710542 0.86 KCNA5 (0.41) KCNA5CHRNB2CHRNA4CYP2A6ALDH1A1
SCHEMBL969126 0.86 GRM5 (0.47) KCNA5CHRNB2CHRNA4ALDH1A1CYP1A2
SCHEMBL13367575 0.86 KCNA5 (0.41) KCNA5CHRNB2CHRNA4CYP2A6ALDH1A1
SCHEMBL6730575 0.86 NPC1 (0.54) KCNA5CHRNB2CHRNA4ALDH1A1GRM5
SCHEMBL29435745 0.85 — —
SCHEMBL518808 0.85 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023140640-A1 HETEROARYL DERIVATIVE AND USES THEREOF 한양대학교 산학협력단 2023-07-27 — — WO disclosed
EP-2977378-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2020-06-10 — — EP disclosed
CN-107635986-A Substituted quinoxaline derivatives 赛尔维他股份公司 2018-01-26 — — CN disclosed
US-20100219397-A1 TRANSITION METAL COMPLEX COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-09-02 — — US disclosed
US-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-05-06 — — US disclosed
US-7635775-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2009-12-22 — — US disclosed
US-20080233410-A1 Transition metal complex compound IDEMITSU KOSAN CO., LTD. (JP) 2008-09-25 — — US disclosed
US-20070141397-A1 TRANSITION METAL COMPLEX COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE COMPOUND IDEMITSU KOSAN CO., LTD (JP) 2007-06-21 — — US disclosed
US-7183281-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2007-02-27 — — US disclosed
US-20060293332-A1 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2006-12-28 — — US disclosed
US-7056937-B2 Sulfonylquinoxalone derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2006-06-06 — — US disclosed
EP-1501807-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-02-02 — — EP disclosed
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 — — US disclosed
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 — — US disclosed
WO-2003093245-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS, INC. (US) 2003-11-13 — — WO 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 (6 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-20060293332-A1 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK KCNA5 84/4885CHRNB2 1057/4885CHRNA4 1047/4885
US-20080233410-A1 Transition metal complex compound EMC2, INTS9, LEF1 KCNA5 79/4885CHRNB2 2680/4885CHRNA4 1382/4885
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists BDKRB2, BDKRB1, HRH2 KCNA5 75/4885CHRNB2 732/4885CHRNA4 654/4885
US-20100219397-A1 TRANSITION METAL COMPLEX COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME EPCAM, OR10J3, MYH9 KCNA5 604/4885CHRNB2 1969/4885CHRNA4 1683/4885
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK KCNA5 118/4885CHRNB2 955/4885CHRNA4 937/4885
US-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OR10J3, OCIAD1, OCIAD2 KCNA5 91/4885CHRNB2 1614/4885CHRNA4 629/4885

“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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