SCHEMBL10180987

SCHEMBL10180987

O=C(Cc1ccccc1)Nc1ccc(-c2ccc3ncc(N4CCN(Cc5ccc6c(c5)OCO6)CC4)nc3c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
KDM4E B2RXH2 2/20 0.63
POLB P06746 1/20 0.63
MCHR1 Q99705 3/20 0.53
SIGMAR1 Q99720 2/20 0.51
FAAH O00519 2/20 0.50
TSHR P16473 1/20 0.50
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.47
ABCB1 P08183 1/20 0.47
CYP3A4 P08684 1/20 0.47
CACNA1G O43497 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
LMNA P02545 1/20 0.46
PMP22 Q01453 1/20 0.46
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
NPC1 O15118 2/20 0.46

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
SCHEMBL10179185 0.91 KDM4E (0.55) ALDH1A1KDM4EPOLBMCHR1SIGMAR1
SCHEMBL10180949 0.90 NPC1 (0.57) MCHR1FAAHKMT2ANPC1RAB9A
SCHEMBL12812501 0.86 NPC1 (0.52) ALDH1A1KDM4EMCHR1SIGMAR1FAAH
SCHEMBL12812507 0.86 NPC1 (0.52) ALDH1A1KDM4EPOLBSIGMAR1MAPT
SCHEMBL1442819 0.86 NPC1 (0.53) ALDH1A1KDM4EMCHR1FAAHMAPT
SCHEMBL12811998 0.86 NPC1 (0.51) KDM4ESIGMAR1FAAHKMT2ACACNA1G
SCHEMBL12812513 0.86 NPC1 (0.48) ALDH1A1KDM4EPOLBFAAHKMT2A
SCHEMBL10179675 0.85 HTR1A (0.52) ALDH1A1KDM4EPOLBMAPTKMT2A
SCHEMBL1442810 0.85 HTR1A (0.51) ALDH1A1KDM4EPOLBSIGMAR1MAPT
SCHEMBL12811812 0.84 MEN1 (0.60) ALDH1A1KDM4EMCHR1MAPTKMT2A

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-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
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-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
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 US disclosed
WO-2011026579-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-10 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 (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 ALDH1A1 3857/4885KDM4E 932/4885POLB 2893/4885

“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.