SCHEMBL12812509

SCHEMBL12812509

O=C(Cc1ccccc1)Nc1ccc(-c2ccc3ncc(N4CCN(c5ccc(C(F)(F)F)cc5)CC4)nc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ NR4A1 P22736 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MCL1 Q07820 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ WNT3A P56704 2/20 0.45
▸ MCHR1 Q99705 8/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ HTR2B P41595 1/20 0.44

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
SCHEMBL10179308 0.92 MCHR1 (0.46) MAPTWNT3AMCHR1HTR1ADRD2
SCHEMBL1443467 0.91 KMT2A (0.54) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL1442495 0.90 HTR1A (0.52) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL12812496 0.89 KMT2A (0.52) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL1443167 0.89 KMT2A (0.55) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL1443398 0.87 HTR1A (0.54) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL1442357 0.87 KMT2A (0.59) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL13276353 0.87 KMT2A (0.52) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL1443409 0.86 MAPT (0.56) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL10179254 0.85 HIF1A (0.56) KDM4EWNT3AMCHR1HTR1ADRD2

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 10 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-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
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 MEN1 874/4885KMT2A 765/4885NPC1 4167/4885

“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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