SCHEMBL1442257

SCHEMBL1442257

CN(C)C(=O)c1ccc(-c2ccc3ncc(N4CCCCC4)nc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK4 Q9HAZ1 6/20 0.48
▸ CYP3A4 P08684 4/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ HSD17B10 Q99714 4/20 0.47
▸ TSHR P16473 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ USP2 O75604 2/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CYP1A2 P05177 4/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ HPGD P15428 10/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ PIK3CA P42336 1/20 0.45
▸ LRRK2 Q5S007 1/20 0.44
▸ HTR1A P08908 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ ALOX15 P16050 1/20 0.41

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
SCHEMBL13276227 0.90 PDE10A (0.44) CYP3A4HPGDPIK3CAHRH3
SCHEMBL1442506 0.89 CLK4 (0.61) CLK4CYP3A4HIF1AHSD17B10TSHR
SCHEMBL1443341 0.87 PIK3CA (0.47) HPGDPIK3CATP53
SCHEMBL1442584 0.85 HPGD (0.58) HPGDPIK3CAHRH3
SCHEMBL1442549 0.84 PIK3CA (0.47) HPGDPIK3CAKCNH2HRH3
SCHEMBL1444076 0.84 HPGD (0.59) HPGD
SCHEMBL10179643 0.84 HPGD (0.59) HPGD
SCHEMBL1442702 0.83 CNR2 (0.46) HPGDALDH1A1PIK3CA
SCHEMBL12811789 0.82 STK17A (0.49) HPGDPIK3CAKCNH2HRH3TP53
SCHEMBL13276225 0.82 PIK3CA (0.46) CLK4CYP3A4HSD17B10LMNAUSP2

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 554/4885CYP3A4 1813/4885HIF1A 2989/4885

“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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