SCHEMBL12812391

SCHEMBL12812391

CC(=O)c1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.53
▸ CDK6 Q00534 3/20 0.49
▸ PIK3CA P42336 5/20 0.48
▸ MTOR P42345 3/20 0.48
▸ PIK3CD O00329 2/20 0.48
▸ PIK3CB P42338 2/20 0.48
▸ PIK3CG P48736 2/20 0.48
▸ PRKDC P78527 1/20 0.48
▸ PIK3C3 Q8NEB9 1/20 0.48
▸ LMNA P02545 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46
▸ PIK3R1 P27986 2/20 0.46
▸ PTGS2 P35354 1/20 0.45
▸ FGFR2 P21802 1/20 0.44
▸ FGFR3 P22607 1/20 0.44

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
SCHEMBL12811768 0.90 PRKDC (0.49) HPGDCDK6PIK3CAMTORPIK3CD
SCHEMBL1444098 0.88 HPGD (0.53) HPGDCDK6PIK3CAMTORPIK3CD
SCHEMBL1443341 0.88 PIK3CA (0.47) HPGDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL1441974 0.88 MTOR (0.53) HPGDCDK6PIK3CAMTORPIK3CD
SCHEMBL1442506 0.88 CLK4 (0.61) HPGDCDK6PIK3CAMTORPIK3CD
SCHEMBL12811766 0.87 HPGD (0.47) HPGDCDK6PIK3CAMTORPIK3CD
SCHEMBL12812023 0.87 HPGD (0.62) HPGDCDK6PIK3CAMTORPIK3CD
SCHEMBL3091537 0.86 PIK3CA (0.55) HPGDCDK6PIK3CAMTORPIK3CD
SCHEMBL1442442 0.85 MTOR (0.53) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1442624 0.85 HPGD (0.68) HPGDCDK6TSHRHSD17B10ALDH1A1

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 9 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
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 HPGD 2446/4885CDK6 136/4885PIK3CA 181/4885

“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.

Send feedback