SCHEMBL10179627

SCHEMBL10179627

O=C(Nc1ccc(-c2ccc3ncc(N4CCN(Cc5cccnc5)CC4)nc3c2)cc1)Nc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.49
DRD2 P14416 3/20 0.48
HTR1A P08908 2/20 0.48
MTOR P42345 9/20 0.47
PIK3CA P42336 5/20 0.47
PIK3CG P48736 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PIK3CD O00329 1/20 0.46
CASP1 P29466 1/20 0.45
CASP4 P49662 1/20 0.45
CASP5 P51878 1/20 0.45
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
AURKA O14965 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
SCHEMBL1442382 0.95 NPC1 (0.46) FAAHDRD2HTR1AMTORPIK3CA
SCHEMBL10179681 0.91 DRD2 (0.47) FAAHDRD2HTR1AMTORPIK3CA
SCHEMBL13465491 0.90 KDM4E (0.53) FAAHDRD2HTR1AMTORPIK3CA
SCHEMBL1443207 0.90 CXCR4 (0.49) DRD2MTORPIK3CANPC1RAB9A
SCHEMBL1443399 0.90 NPC1 (0.46) FAAHDRD2HTR1AMTORPIK3CA
SCHEMBL1441768 0.90 NPC1 (0.46) FAAHDRD2HTR1ANPC1RAB9A
SCHEMBL1443280 0.90 DRD2 (0.51) FAAHDRD2HTR1ANPC1RAB9A
SCHEMBL10179606 0.89 SMN1; SMN2 (0.59) NPC1RAB9ACASP1CASP4CASP5
SCHEMBL1442193 0.89 KMT2A (0.47) NPC1RAB9ACASP1CASP4CASP5
SCHEMBL10179384 0.88 HIF1A (0.55) NPC1RAB9AMAPTMAPK1SMN1; 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
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
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

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 FAAH 4850/4885DRD2 3211/4885HTR1A 2805/4885

“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.