SCHEMBL1442593

SCHEMBL1442593

O=C(NCCc1ccccc1)Nc1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.59
▸ PIK3CA P42336 8/20 0.51
▸ PIK3CD O00329 2/20 0.51
▸ NTRK1 P04629 1/20 0.51
▸ YES1 P07947 1/20 0.51
▸ PIM1 P11309 1/20 0.51
▸ AURKB Q96GD4 1/20 0.51
▸ ROCK2 O75116 2/20 0.50
▸ ROCK1 Q13464 1/20 0.50
▸ MTOR P42345 6/20 0.49
▸ PIK3CG P48736 4/20 0.49
▸ ATM Q13315 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ PTPN7 P35236 1/20 0.47
▸ CNR1 P21554 1/20 0.45
▸ PIK3R1 P27986 1/20 0.45

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
SCHEMBL1442852 0.91 PIK3CA (0.52) MAPK1PIK3CAPIK3CDAURKBROCK2
SCHEMBL1444071 0.86 PIK3CA (0.67) PIK3CAPIK3CDMTORPIK3CG
SCHEMBL1442104 0.85 SMN1; SMN2 (0.59) MAPK1PIK3CAPIK3CDMTORPIK3CG
SCHEMBL12812455 0.82 MTOR (0.56) PIK3CAPIK3CDMTORPIK3CGCNR1
SCHEMBL1442884 0.82 KDM4E (0.53) MAPK1PIK3CAMTORPIK3CGATM
SCHEMBL13276289 0.82 MTOR (0.60) PIK3CAPIK3CDMTORPIK3CG
SCHEMBL1443257 0.81 HIF1A (0.56) PIK3CAMTORPIK3CGATM
SCHEMBL1442698 0.80 MTOR (0.56) PIK3CAPIK3CDMTORPIK3CGPIK3R1
SCHEMBL1443457 0.80 SHMT2 (0.52) PIK3CAPIK3CDAURKBMTORPIK3CG
SCHEMBL1442442 0.80 MTOR (0.53) PIK3CAPIK3CDMTORPIK3CGPIK3R1

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
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-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 MAPK1 195/4885PIK3CA 181/4885PIK3CD 370/4885

“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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