SCHEMBL10179266

SCHEMBL10179266

O=C(Nc1ccc(-c2ccc3ncc(N4CCN(Cc5cccnc5)CC4)nc3c2)cc1)C1CCC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ KMT2A Q03164 1/20 0.46
▸ CASP1 P29466 1/20 0.45
▸ CASP4 P49662 1/20 0.45
▸ CASP5 P51878 1/20 0.45
▸ TP53 P04637 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CXCR4 P61073 1/20 0.44
▸ CTNNB1 P35222 1/20 0.43
▸ TCF7L2 Q9NQB0 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43

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
SCHEMBL1442880 0.98 KMT2A (0.46) OPRD1KCNH2KMT2ACASP1CASP4
SCHEMBL1443101 0.98 TP53 (0.46) OPRD1KCNH2KMT2ACASP1CASP4
SCHEMBL1442193 0.97 KMT2A (0.47) OPRD1KCNH2KMT2ACASP1CASP4
SCHEMBL1442906 0.93 PIK3CA (0.47) KMT2ATP53LMNAMAPT
SCHEMBL10180913 0.89 ALDH1A1 (0.47) KMT2ACASP1CASP4CASP5TP53
SCHEMBL13465491 0.88 KDM4E (0.53) CASP1CASP4CASP5MAPTNPC1
SCHEMBL1442335 0.88 ACHE (0.47) CASP1CASP4CASP5MAPTNPC1
SCHEMBL1443207 0.88 CXCR4 (0.49) KMT2ACASP1CASP4CASP5MAPT
SCHEMBL10179627 0.87 FAAH (0.49) CASP1CASP4CASP5MAPTNPC1
SCHEMBL1443399 0.87 NPC1 (0.46) CASP1CASP4CASP5MAPTNPC1

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
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
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 OPRD1 4098/4885KCNH2 1749/4885KMT2A 765/4885

“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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