SCHEMBL1443457

SCHEMBL1443457

CCC(=O)Nc1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHMT2 P34897 1/20 0.52
▸ PIK3CA P42336 4/20 0.51
▸ PIK3CD O00329 4/20 0.51
▸ WNT3A P56704 1/20 0.51
▸ MOK Q9UQ07 1/20 0.50
▸ JAK3 P52333 1/20 0.49
▸ GBA1 P04062 2/20 0.48
▸ AKT1 P31749 2/20 0.48
▸ MCHR1 Q99705 1/20 0.48
▸ CCNK O75909 1/20 0.47
▸ CDK12 Q9NYV4 1/20 0.47
▸ MTOR P42345 3/20 0.47
▸ PIK3CB P42338 3/20 0.47
▸ PIK3CG P48736 2/20 0.47
▸ PRKDC P78527 1/20 0.47
▸ PIK3C3 Q8NEB9 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ GAA P10253 2/20 0.47

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
SCHEMBL1442442 0.89 MTOR (0.53) PIK3CAPIK3CDMOKJAK3GBA1
SCHEMBL12812451 0.88 GBA1 (0.48) SHMT2PIK3CAPIK3CDWNT3AGBA1
SCHEMBL1444071 0.88 PIK3CA (0.67) PIK3CAPIK3CDMTORPIK3CG
SCHEMBL13276289 0.88 MTOR (0.60) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL1442429 0.88 GBA1 (0.61) SHMT2PIK3CAPIK3CDJAK3GBA1
SCHEMBL1442104 0.87 SMN1; SMN2 (0.59) PIK3CAPIK3CDWNT3AAKT1MTOR
SCHEMBL1442001 0.87 HTT (0.46) WNT3AJAK3MCHR1CCNKCDK12
SCHEMBL1442461 0.85 PIK3CA (0.46) PIK3CAPIK3CDWNT3AGBA1MTOR
SCHEMBL1442827 0.84 GBA1 (0.61) SHMT2PIK3CAPIK3CDGBA1MTOR
SCHEMBL1442884 0.84 KDM4E (0.53) PIK3CAGBA1MTORPIK3CGKDM4E

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
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 SHMT2 958/4885PIK3CA 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.

Send feedback