SCHEMBL12812445

SCHEMBL12812445

O=C(CCc1cccc(C(F)(F)F)c1)Nc1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 9/20 0.51
▸ MEN1 O00255 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ MAPT P10636 1/20 0.46
▸ AKT1 P31749 1/20 0.46
▸ CDK8 P49336 1/20 0.45
▸ RAF1 P04049 5/20 0.44
▸ BRAF P15056 5/20 0.44
▸ STAT6 P42226 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL1442857 0.92 AKT1 (0.51) MCHR1MEN1RAB9AKMT2AMAPT
SCHEMBL1443009 0.85 IDH2 (0.52) MCHR1AKT1RAF1BRAF
SCHEMBL12812449 0.84 BRAF (0.61) RAF1BRAF
SCHEMBL1442865 0.82 MCHR1 (0.54) MCHR1MAPT
SCHEMBL1442104 0.81 SMN1; SMN2 (0.59) MEN1RAB9AKMT2AMAPTAKT1
SCHEMBL1443457 0.80 SHMT2 (0.52) MCHR1RAB9AAKT1ALDH1A1
SCHEMBL1442552 0.80 CNR2 (0.57) RAB9AMAPTRAF1BRAFALDH1A1
SCHEMBL12812451 0.79 GBA1 (0.48) MCHR1MEN1RAB9AKMT2AMAPT
SCHEMBL1444063 0.78 BRAF (0.55) MCHR1MAPTBRAF
SCHEMBL12812509 0.78 MEN1 (0.50) MCHR1MEN1RAB9AKMT2AMAPT

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 MCHR1 3436/4885MEN1 874/4885RAB9A 1365/4885

“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.

Send feedback