SCHEMBL12812497

SCHEMBL12812497

CN(C)C(=O)CN1CCN(c2cnc3ccc(-c4ccc(NC(=O)Cc5ccccc5)cc4)cc3n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ WNT3A P56704 3/20 0.45
▸ SLC2A1 P11166 1/20 0.44
▸ MCHR1 Q99705 1/20 0.44
▸ GFER P55789 1/20 0.43
▸ DRD2 P14416 2/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ HPGD P15428 2/20 0.42

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
SCHEMBL12812505 0.94 MEN1 (0.46) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL12811812 0.90 MEN1 (0.60) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL1442530 0.88 WNT3A (0.49) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL10180949 0.88 NPC1 (0.57) MEN1KMT2ANPC1RAB9AWNT3A
SCHEMBL1442853 0.87 WNT3A (0.47) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL12812502 0.86 MCHR1 (0.50) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL1442581 0.86 HTR1A (0.59) MEN1KMT2ANPC1RAB9AWNT3A
SCHEMBL1443467 0.86 KMT2A (0.54) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL1443409 0.86 MAPT (0.56) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL1442762 0.85 WNT3A (0.52) MEN1KMT2ANPC1RAB9AKDM4E

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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