SCHEMBL12812486

SCHEMBL12812486

O=C(Cc1cccc(F)c1)Nc1ccc(-c2ccc3ncc(N4CCN(c5ccncc5)CC4)nc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.49
▸ F2 P00734 1/20 0.45
▸ ELANE P08246 1/20 0.45
▸ ROCK2 O75116 1/20 0.44
▸ WNT3A P56704 4/20 0.44
▸ PRKACA P17612 1/20 0.44
▸ ROCK1 Q13464 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ HTR1A P08908 3/20 0.43
▸ DRD2 P14416 3/20 0.43
▸ KCNQ2 O43526 1/20 0.42
▸ PSEN1 P49768 1/20 0.41
▸ PSEN2 P49810 1/20 0.41
▸ APH1B Q8WW43 1/20 0.41
▸ NCSTN Q92542 1/20 0.41
▸ APH1A Q96BI3 1/20 0.41
▸ PSENEN Q9NZ42 1/20 0.41
▸ MEN1 O00255 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
SCHEMBL1442691 0.91 WNT3A (0.48) F10F2ELANEWNT3AHTR1A
SCHEMBL1442495 0.91 HTR1A (0.52) WNT3AMAPTHTR1ADRD2MEN1
SCHEMBL27882087 0.90 WNT3A (0.44) WNT3AMAPTHTR1ADRD2KCNQ2
SCHEMBL1442610 0.90 PSEN1 (0.54) ROCK2WNT3AMAPTHTR1ADRD2
SCHEMBL10179359 0.90 KCNQ2 (0.55) ROCK2WNT3AMAPTHTR1ADRD2
SCHEMBL1442619 0.89 HTR1A (0.53) WNT3AHTR1ADRD2MEN1KMT2A
SCHEMBL1443398 0.88 HTR1A (0.54) WNT3AMAPTHTR1ADRD2MEN1
SCHEMBL10178943 0.88 MAPT (0.52) F10ROCK2WNT3APRKACAROCK1
SCHEMBL27882033 0.87 HTR1A (0.47) WNT3AMAPTHTR1ADRD2MEN1
SCHEMBL1442923 0.87 DRD2 (0.44) ROCK2WNT3AMAPTL3MBTL1HTR1A

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 8 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
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 F10 1741/4885F2 1017/4885ELANE 4664/4885

“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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