SCHEMBL12812451

SCHEMBL12812451

O=C(CC1CC1)Nc1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 5/20 0.48
▸ WNT3A P56704 1/20 0.46
▸ PIK3CD O00329 2/20 0.46
▸ PIK3CA P42336 2/20 0.46
▸ MCHR1 Q99705 3/20 0.45
▸ PIK3CB P42338 1/20 0.45
▸ MTOR P42345 1/20 0.45
▸ PIK3CG P48736 1/20 0.45
▸ PRKDC P78527 1/20 0.45
▸ PIK3C3 Q8NEB9 1/20 0.45
▸ GLA P06280 2/20 0.44
▸ HSD17B10 Q99714 4/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NAPEPLD Q6IQ20 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 3/20 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
SCHEMBL1443457 0.88 SHMT2 (0.52) GBA1WNT3APIK3CDPIK3CAMCHR1
SCHEMBL1443356 0.88 NAMPT (0.47) GBA1MCHR1NPC1RAB9AALDH1A1
SCHEMBL1442429 0.86 GBA1 (0.61) GBA1PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL1443154 0.86 MAPT (0.48) HSD17B10NPC1RAB9AKMT2AKDM4E
SCHEMBL1442827 0.84 GBA1 (0.61) GBA1PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL1442442 0.84 MTOR (0.53) GBA1PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL1442104 0.84 SMN1; SMN2 (0.59) WNT3APIK3CDPIK3CAPIK3CBMTOR
SCHEMBL1442333 0.84 NAMPT (0.51) GBA1NPC1RAB9AMEN1KMT2A
SCHEMBL1442411 0.83 GAA (0.52) GBA1PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL1442936 0.83 GBA1 (0.63) GBA1PIK3CAGLAHSD17B10NPC1

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
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 GBA1 3515/4885WNT3A 3920/4885PIK3CD 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