SCHEMBL10178943

SCHEMBL10178943

COc1cccc(CC(=O)Nc2ccc(-c3ccc4ncc(N5CCN(c6ccncc6)CC5)nc4c3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.52
▸ ROCK1 Q13464 8/20 0.49
▸ PRKACA P17612 7/20 0.49
▸ F10 P00742 1/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ CYP3A4 P08684 3/20 0.47
▸ WNT3A P56704 1/20 0.47
▸ ROCK2 O75116 1/20 0.47
▸ POLB P06746 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ABCB1 P08183 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ LMNA P02545 1/20 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
SCHEMBL1442816 0.91 MAPT (0.52) MAPTF10NPC1ALDH1A1RAB9A
SCHEMBL1442809 0.91 MAPT (0.52) MAPTROCK1PRKACANPC1ALDH1A1
SCHEMBL1443488 0.90 MAPT (0.57) MAPTNPC1ALDH1A1RAB9ACYP3A4
SCHEMBL1442610 0.90 PSEN1 (0.54) MAPTNPC1RAB9AWNT3AROCK2
SCHEMBL1442495 0.89 HTR1A (0.52) MAPTNPC1ALDH1A1RAB9AWNT3A
SCHEMBL10179359 0.88 KCNQ2 (0.55) MAPTNPC1ALDH1A1RAB9AWNT3A
SCHEMBL27882087 0.88 WNT3A (0.44) MAPTNPC1ALDH1A1RAB9ACYP3A4
SCHEMBL12812486 0.88 F10 (0.49) MAPTROCK1PRKACAF10WNT3A
SCHEMBL10180939 0.88 KDM4E (0.50) MAPTROCK1PRKACAALDH1A1CYP3A4
SCHEMBL1442357 0.87 KMT2A (0.59) MAPTNPC1ALDH1A1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340528-B2 Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-17 — — US claimed
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 — — US claimed
CN-102596932-A Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER SCHERING PHARMA AG 2012-07-18 — — CN claimed
EP-2473498-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2012-07-11 — — EP claimed
US-9340528-B2 Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-17 — — US disclosed
US-9340528-B2 Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-17 — — US disclosed
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 — — US disclosed
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 — — 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-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS ABL1, TYK2, JAK2 MAPT 1296/4885ROCK1 463/4885PRKACA 171/4885

“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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