SCHEMBL13277399

SCHEMBL13277399

N#Cc1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 8/20 0.52
▸ CYP11B2 P19099 8/20 0.52
▸ EGLN2 Q96KS0 1/20 0.51
▸ PIK3CA P42336 4/20 0.49
▸ PIK3CD O00329 2/20 0.49
▸ PIK3CB P42338 2/20 0.49
▸ MTOR P42345 2/20 0.49
▸ PIK3CG P48736 2/20 0.49
▸ PRKDC P78527 1/20 0.49
▸ PIK3C3 Q8NEB9 1/20 0.49
▸ HTT P42858 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CDK6 Q00534 3/20 0.47
▸ PIM1 P11309 1/20 0.47
▸ IKBKE Q14164 1/20 0.44
▸ TBK1 Q9UHD2 1/20 0.44
▸ CSF1R P07333 1/20 0.42

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
SCHEMBL1442106 0.89 CDK6 (0.53) CYP11B1CYP11B2EGLN2PIK3CAPIK3CD
SCHEMBL13276453 0.89 CYP11B1 (0.63) CYP11B1CYP11B2PIK3CA
SCHEMBL12811942 0.86 PIK3CA (0.54) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL3091537 0.84 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL1443289 0.84 LRRK2 (0.48) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL1443477 0.83 PIK3CA (0.52) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL12812019 0.83 PIK3CA (0.52) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL1441788 0.82 PIK3CA (0.63) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL1442262 0.81 PIK3CA (0.56) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL1443007 0.81 PDE4D (0.55) PIK3CAPIK3CDPIK3CBMTORPIK3CG

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
CN-102596932-A Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER SCHERING PHARMA AG 2012-07-18 — — CN 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

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 CYP11B1 1621/4885CYP11B2 1459/4885EGLN2 1566/4885

“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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