SCHEMBL1442447

SCHEMBL1442447

CC(=O)Nc1ccc(-c2ccc3ncc(N4CCCCC4)nc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ GFER P55789 1/20 0.50
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ JAK2 O60674 2/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ APP P05067 1/20 0.46
▸ BCHE P06276 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ BRAF P15056 1/20 0.45
▸ NTRK1 P04629 1/20 0.45
▸ FLT3 P36888 1/20 0.45

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
SCHEMBL12811961 0.90 NPC1 (0.53) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL1442442 0.89 MTOR (0.53) JAK2PIK3CAACHEMOKPIK3CB
SCHEMBL1443341 0.85 PIK3CA (0.47) PIK3CAHPGDPIK3CBMTORPIK3CG
SCHEMBL12812066 0.84 ATM (0.46) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL1442097 0.84 PIK3CA (0.45) CYP1A2KDM4EALDH1A1MAPTPIK3CA
SCHEMBL12811814 0.83 NPY2R (0.46) MAPTPIK3CASMN1; SMN2GBA1
SCHEMBL12811787 0.83 HTR2C (0.51) KMT2AKDM4EALDH1A1MAPTNPC1
SCHEMBL1441972 0.83 HRH3 (0.47) MEN1KMT2AALDH1A1MAPTPIK3CA
SCHEMBL1442689 0.82 SMN1; SMN2 (0.56) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL1442549 0.82 PIK3CA (0.47) MAPTPIK3CAHRH3HPGDPIK3CB

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 12 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
EP-2473498-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2012-07-11 — — EP 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-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 CYP1A2 1502/4885CYP3A4 1813/4885CYP2C19 1062/4885

“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