SCHEMBL10179434

SCHEMBL10179434

Cc1cc(-c2ccc3ncc(N4CCN(CCCN5CCCC5)CC4)nc3c2)cc(C)c1O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 6/20 0.41
PRKDC P78527 1/20 0.41
JAK1 P23458 1/20 0.41
HRH4 Q9H3N8 3/20 0.40
HTR3A P46098 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MELK Q14680 3/20 0.38
HTR7 P34969 1/20 0.38
TLR9 Q9NR96 1/20 0.38
KDM4E B2RXH2 2/20 0.37
RAD52 P43351 2/20 0.37
GAA P10253 1/20 0.37
PIK3CA P42336 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL1442515 0.96 JAK1 (0.42) ATMPRKDCJAK1HRH4HTR3A
SCHEMBL1442503 0.91 ATM (0.43) ATMPRKDCJAK1HRH4HTR3A
SCHEMBL1442283 0.89 JAK1 (0.39) ATMPRKDCJAK1HRH4HTR3A
SCHEMBL10179057 0.89 ATM (0.41) ATMPRKDCJAK1HRH4HTR3A
SCHEMBL1442658 0.88 MAPT (0.43) JAK1HRH4HTR3ANPC1RAB9A
SCHEMBL10178985 0.88 JAK1 (0.44) JAK1HRH4HTR3ANPC1RAB9A
SCHEMBL1443176 0.88 PIK3CA (0.41) ATMPRKDCJAK1HRH4HTR3A
SCHEMBL1443294 0.87 NPC1 (0.47) HRH4HTR3ANPC1RAB9AHTR7
SCHEMBL12812412 0.87 PIK3CA (0.46) JAK1HRH4HTR3ANPC1RAB9A
SCHEMBL1443901 0.87 MELK (0.41) ATMJAK1HRH4HTR3ANPC1

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 10 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
EP-2473498-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2012-07-11 EP 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 ATM 48/4885PRKDC 111/4885JAK1 11/4885

“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.