SCHEMBL10179359

SCHEMBL10179359

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 2/20 0.55
▸ ROCK2 O75116 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ WNT3A P56704 3/20 0.44
▸ HTR1A P08908 3/20 0.43
▸ DRD2 P14416 3/20 0.43
▸ RORC P51449 1/20 0.42
▸ JAK3 P52333 1/20 0.41
▸ 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
▸ HRH2 P25021 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ MAPT P10636 2/20 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
SCHEMBL1443199 0.91 MAPT (0.52) KCNQ2MEN1KMT2AALDH1A1WNT3A
SCHEMBL1442495 0.91 HTR1A (0.52) MEN1KMT2AALDH1A1WNT3AHTR1A
SCHEMBL1442610 0.90 PSEN1 (0.54) KCNQ2ROCK2MEN1KMT2AWNT3A
SCHEMBL27882087 0.90 WNT3A (0.44) KCNQ2MEN1KMT2AALDH1A1WNT3A
SCHEMBL12812486 0.90 F10 (0.49) KCNQ2ROCK2MEN1KMT2AWNT3A
SCHEMBL1442619 0.89 HTR1A (0.53) MEN1KMT2AWNT3AHTR1ADRD2
SCHEMBL1443398 0.88 HTR1A (0.54) MEN1KMT2AALDH1A1WNT3AHTR1A
SCHEMBL10178943 0.88 MAPT (0.52) ROCK2KMT2AALDH1A1WNT3AMAPT
SCHEMBL27882033 0.87 HTR1A (0.47) MEN1KMT2AWNT3AHTR1ADRD2
SCHEMBL10178967 0.87 KCNQ2 (0.46) KCNQ2ROCK2MEN1KMT2AALDH1A1

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 KCNQ2 709/4885ROCK2 466/4885MEN1 874/4885

“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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