SCHEMBL10180913

SCHEMBL10180913

O=C(Nc1ccc(-c2ccc3ncc(N4CCN(Cc5cccnc5)CC4)nc3c2)cc1)C1CCCO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ KDM4E B2RXH2 5/20 0.47
▸ NPC1 O15118 5/20 0.47
▸ HPGD P15428 5/20 0.47
▸ RAB9A P51151 5/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ PKM P14618 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ GLA P06280 1/20 0.47
▸ CXCR4 P61073 1/20 0.42
▸ PIK3CA P42336 4/20 0.42
▸ MTOR P42345 4/20 0.42
▸ TP53 P04637 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ FAAH O00519 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP4 P49662 1/20 0.41
▸ CASP5 P51878 1/20 0.41
▸ NAMPT P43490 2/20 0.41

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 0.89 KMT2A (0.46) KDM4ENPC1RAB9ACXCR4TP53
SCHEMBL10179266 0.89 OPRD1 (0.48) KDM4ENPC1RAB9ACXCR4TP53
SCHEMBL1442193 0.89 KMT2A (0.47) NPC1RAB9ASMN1; SMN2CXCR4TP53
SCHEMBL1442906 0.89 PIK3CA (0.47) SMN1; SMN2PIK3CAMTORTP53MAPT
SCHEMBL1443101 0.88 TP53 (0.46) KDM4ENPC1RAB9ACXCR4TP53
SCHEMBL13276298 0.86 RXFP1 (0.49) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL1443207 0.85 CXCR4 (0.49) NPC1RAB9ASMN1; SMN2CXCR4PIK3CA
SCHEMBL10179627 0.85 FAAH (0.49) NPC1RAB9ASMN1; SMN2PIK3CAMTOR
SCHEMBL10180439 0.84 HPGD (0.47) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL13465491 0.84 KDM4E (0.53) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2

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 ALDH1A1 3857/4885KDM4E 932/4885NPC1 4167/4885

“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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