SCHEMBL1442506

SCHEMBL1442506

CN(C)C(=O)c1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK4 Q9HAZ1 5/20 0.61
▸ HSD17B10 Q99714 4/20 0.61
▸ CYP3A4 P08684 4/20 0.61
▸ TSHR P16473 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ CYP1A2 P05177 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ TP53 P04637 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ USP2 O75604 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ ATR Q13535 2/20 0.48
▸ ATRIP Q8WXE1 1/20 0.48
▸ PIK3CA P42336 8/20 0.47
▸ MTOR P42345 5/20 0.47
▸ PIK3R1 P27986 3/20 0.47
▸ CDK6 Q00534 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
SCHEMBL13276742 0.91 HSD17B10 (0.51) CLK4HSD17B10CYP3A4TSHRLMNA
SCHEMBL1442257 0.89 CLK4 (0.48) CLK4HSD17B10CYP3A4TSHRLMNA
SCHEMBL12812391 0.88 HPGD (0.53) CLK4HSD17B10CYP3A4TSHRLMNA
SCHEMBL1444098 0.85 HPGD (0.53) CLK4HSD17B10CYP3A4TSHRLMNA
SCHEMBL1441974 0.85 MTOR (0.53) CLK4HSD17B10CYP3A4TSHRLMNA
SCHEMBL12812023 0.84 HPGD (0.62) HSD17B10ALDH1A1ALOX15HPGDPIK3CA
SCHEMBL1442982 0.83 ATR (0.49) CLK4HSD17B10CYP3A4TSHRLMNA
SCHEMBL3091537 0.83 PIK3CA (0.55) HSD17B10TSHRMAPK1ALDH1A1HPGD
SCHEMBL1442602 0.83 PIK3CA (0.48) CLK4HSD17B10CYP3A4TSHRLMNA
SCHEMBL1442624 0.83 HPGD (0.68) HSD17B10TSHRALDH1A1ALOX15HPGD

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 CLK4 554/4885HSD17B10 4614/4885CYP3A4 1813/4885

“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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