SCHEMBL1443590

SCHEMBL1443590

O=C(NC1CC1)c1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.50
▸ ATR Q13535 1/20 0.50
▸ ATRIP Q8WXE1 1/20 0.50
▸ BMPR1B O00238 2/20 0.48
▸ BMPR1A P36894 2/20 0.48
▸ TGFBR1 P36897 2/20 0.48
▸ ACVRL1 P37023 2/20 0.48
▸ ACVR1 Q04771 2/20 0.48
▸ HPGDS O60760 1/20 0.48
▸ CKS1B P61024 1/20 0.48
▸ SKP1 P63208 1/20 0.48
▸ SKP2 Q13309 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ LCK P06239 2/20 0.47
▸ KIT P10721 2/20 0.47
▸ KDR P35968 2/20 0.47
▸ MAPK9 P45984 2/20 0.47
▸ USP30 Q70CQ3 1/20 0.47
▸ CDK6 Q00534 2/20 0.47
▸ PIK3CD O00329 1/20 0.47

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
SCHEMBL12812018 0.91 MAPK14 (0.61) MAPK14ATRATRIPBMPR1BBMPR1A
SCHEMBL12811797 0.90 CKS1B (0.50) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL1441974 0.86 MTOR (0.53) HPGDCDK6PIK3CDPIK3CAPIK3CB
SCHEMBL1442924 0.86 PIK3CD (0.48) MAPK14ATRATRIPBMPR1BBMPR1A
SCHEMBL1442877 0.86 PIK3CA (0.48) MAPK14ATRATRIPBMPR1BBMPR1A
SCHEMBL1442411 0.86 GAA (0.52) ATRPIK3CDPIK3CAPIK3CBMTOR
SCHEMBL1443346 0.84 MYLK4 (0.52) HPGDCDK6PIK3CDPIK3CAPIK3CB
SCHEMBL1443006 0.84 CKS1B (0.45) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL1443257 0.83 HIF1A (0.56) ATRPIK3CAMTORPIK3CGNPC1
SCHEMBL12812391 0.83 HPGD (0.53) HPGDCDK6PIK3CDPIK3CAPIK3CB

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 12 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
WO-2011026579-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-10 — — WO 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 MAPK14 374/4885ATR 19/4885ATRIP 659/4885

“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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