SCHEMBL1442982

SCHEMBL1442982

CN(C)C(=O)c1ccccc1-c1ccc2ncc(N3CCOCC3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.49
▸ ATRIP Q8WXE1 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HPGD P15428 2/20 0.45
▸ PDE4B Q07343 1/20 0.44
▸ HCRTR1 O43613 5/20 0.43
▸ HCRTR2 O43614 5/20 0.43
▸ LMNA P02545 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 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
SCHEMBL1442702 0.90 CNR2 (0.46) ALDH1A1HPGDHCRTR1HCRTR2PIK3CA
SCHEMBL12812422 0.86 PRKDC (0.49) ALDH1A1HSD17B10TP53CYP1A2CYP2C19
SCHEMBL12811951 0.86 HPGD (0.45) ALDH1A1CYP1A2HPGDHCRTR1HCRTR2
SCHEMBL1442506 0.83 CLK4 (0.61) ATRATRIPALDH1A1HSD17B10TP53
SCHEMBL13276742 0.83 HSD17B10 (0.51) ATRATRIPALDH1A1HSD17B10TP53
SCHEMBL1442756 0.81 MAPT (0.51) ALDH1A1HSD17B10CYP2C19HPGDLMNA
SCHEMBL1442428 0.81 ALDH1A1 (0.58) ALDH1A1HSD17B10CYP1A2ALOX15CYP2C19
SCHEMBL1442742 0.80 HSD17B10 (0.47) ALDH1A1HSD17B10CYP1A2CYP2C19HPGD
SCHEMBL1442444 0.80 PIK3CA (0.46) ALDH1A1HPGDLMNAKDM4EHTT
SCHEMBL12811779 0.79 PTPN11 (0.44) ALDH1A1HSD17B10TP53CYP1A2CYP2C19

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 11 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

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 ATR 19/4885ATRIP 659/4885ALDH1A1 3857/4885

“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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