SCHEMBL10180939

SCHEMBL10180939

COc1cccc(CC(=O)Nc2ccc(-c3ccc4ncc(N5CCN(Cc6cccnc6)CC5)nc4c3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.50
▸ GFER P55789 1/20 0.50
▸ MAPT P10636 6/20 0.49
▸ HTT P42858 1/20 0.46
▸ ABCB1 P08183 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ PRKACA P17612 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ FAAH O00519 2/20 0.42
▸ RORC P51449 1/20 0.42

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
SCHEMBL12812050 0.93 MAPT (0.48) KDM4EGFERMAPTABCB1CYP3A4
SCHEMBL1443280 0.91 DRD2 (0.51) KDM4EMAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL12812052 0.90 PSEN1 (0.51) KDM4EMAPTABCB1CYP3A4ALDH1A1
SCHEMBL1442809 0.89 MAPT (0.52) MAPTHTTCYP3A4ALDH1A1PRKACA
SCHEMBL1442810 0.89 HTR1A (0.51) KDM4EMAPTHTTALDH1A1HPGD
SCHEMBL10178967 0.89 KCNQ2 (0.46) MAPTALDH1A1MAPK1SMN1; SMN2HTR1A
SCHEMBL1442923 0.89 DRD2 (0.44) KDM4EMAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL27865644 0.89 HTR1A (0.44) KDM4EMAPTABCB1CYP3A4ALDH1A1
SCHEMBL12812469 0.89 HTR1A (0.44) MAPTABCB1CYP3A4MAPK1SMN1; SMN2
SCHEMBL12812055 0.88 RORC (0.48) KDM4EMAPTALDH1A1MAPK1SMN1; SMN2

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 9 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
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
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 KDM4E 932/4885GFER 1774/4885MAPT 1296/4885

“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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