SCHEMBL10187789

SCHEMBL10187789

CC(=O)N1CCN(c2cnc3ccc(-c4cc(C)c(O)c(C)c4)cc3n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.53
MTOR P42345 1/20 0.53
PIK3CG P48736 1/20 0.53
CKS1B P61024 1/20 0.49
SKP1 P63208 1/20 0.49
SKP2 Q13309 1/20 0.49
MET P08581 1/20 0.46
HCAR2 Q8TDS4 4/20 0.45
BRD4 O60885 2/20 0.43
MAP4K4 O95819 1/20 0.42
SMO Q99835 2/20 0.41
GBA1 P04062 1/20 0.40
JAK1 P23458 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GAK O14976 1/20 0.40
DPP4 P27487 1/20 0.40
HTR3A P46098 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
NCF1 P14598 1/20 0.39

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
SCHEMBL27882021 0.91 HCAR2 (0.47) PIK3CBMTORPIK3CGCKS1BSKP1
SCHEMBL1443463 0.89 HPGD (0.47) PIK3CBMTORPIK3CGHCAR2SMO
SCHEMBL1443447 0.89 PIK3CB (0.43) PIK3CBMTORPIK3CGHCAR2JAK1
SCHEMBL1443364 0.88 HCAR2 (0.47) PIK3CBMTORPIK3CGCKS1BSKP1
SCHEMBL10187736 0.87 PIK3CB (0.55) PIK3CBMTORPIK3CGCKS1BSKP1
SCHEMBL1442650 0.86 HRH4 (0.56) METJAK1NPC1RAB9AHTR3A
SCHEMBL10178985 0.86 JAK1 (0.44) PIK3CBMTORPIK3CGHCAR2JAK1
SCHEMBL12812412 0.85 PIK3CA (0.46) PIK3CBMTORPIK3CGJAK1NPC1
SCHEMBL1442658 0.84 MAPT (0.43) JAK1NPC1RAB9AHTR3AHRH4
SCHEMBL27865647 0.84 PIK3CA (0.43) PIK3CBMTORPIK3CGHCAR2JAK1

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 PIK3CB 404/4885MTOR 86/4885PIK3CG 412/4885

“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.