SCHEMBL1442780

SCHEMBL1442780

O=C(Cc1ccccc1F)Nc1ccc(-c2ccc3ncc(N4CCN(c5ccncc5)CC4)nc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.44
▸ F10 P00742 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ NPC1 O15118 5/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ PRKACA P17612 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ HTR1A P08908 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ MAPT P10636 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HTT P42858 2/20 0.40
▸ NFKB1 P19838 2/20 0.39
▸ NFKB2 Q00653 2/20 0.39
▸ RELA Q04206 2/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL1443193 0.90 MAPT (0.46) ALDH1A1NPC1RAB9AHTR1ADRD2
SCHEMBL27865682 0.90 HTR1A (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2HTR1A
SCHEMBL1443250 0.90 KMT2A (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL10179687 0.90 KDM4E (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2HTR1A
SCHEMBL10179432 0.90 HCRTR1 (0.41) ALDH1A1HTR1ADRD2MEN1KMT2A
SCHEMBL1442495 0.88 HTR1A (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2HTR1A
SCHEMBL10178956 0.88 MAPT (0.55) F10ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1443398 0.87 HTR1A (0.54) ALDH1A1NPC1RAB9ASMN1; SMN2HTR1A
SCHEMBL1442833 0.86 HTR1A (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2HTR1A
SCHEMBL1442691 0.86 WNT3A (0.48) F2F10NPC1RAB9AHTR1A

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
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-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 F2 1017/4885F10 1741/4885ALDH1A1 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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