SCHEMBL31429010

SCHEMBL31429010

Cc1cc(-c2cncnc2)c2cc(C(=O)N3CCOCC3)ccc2n1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.61
HPGD P15428 5/20 0.46
GRM2 Q14416 1/20 0.46
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
MYC P01106 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 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
SCHEMBL31429056 0.90 MAPT (0.54) ARHPGDMEN1KMT2AMAPT
SCHEMBL31428834 0.88 GRM2 (0.48) ARHPGDGRM2MYCMEN1
SCHEMBL31428513 0.88 PDCD1 (0.53) HPGDGRM2MEN1KMT2AMAPT
SCHEMBL31429121 0.85 AR (0.56) ARHPGDGRM2CCNCCDK8
SCHEMBL31428866 0.85 CCNC (0.58) ARHPGDGRM2CCNCCDK8
SCHEMBL30163471 0.85 PTK6 (0.49) ARHPGDGRM2CCNCCDK8
SCHEMBL31428979 0.84 HPGD (0.51) HPGDMEN1KMT2AKDM4EALDH1A1
SCHEMBL31428537 0.83 PDCD1 (0.52) HPGDMAPTPKMKDM4EALDH1A1
SCHEMBL31428810 0.83 HPGD (0.48) HPGDMYCPKMKDM4EALDH1A1
SCHEMBL31428600 0.83 AR (0.60) ARHPGDCCNCCDK8PKM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2025-03-20 US 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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND BRAF, RAF1, NRAS AR 1566/4885HPGD 4233/4885GRM2 4454/4885

“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.