SCHEMBL31428641

SCHEMBL31428641

CCOC(=O)c1ccc2nc(C)cc(C#N)c2c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.53
KDM4E B2RXH2 3/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 2/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL9907331 0.82 ALDH1A1 (0.59) ALDH1A1L3MBTL1TP53MAPTKDM4E
SCHEMBL538292 0.81 ALDH1A1 (0.57) ALDH1A1L3MBTL1TP53MAPTKDM4E
SCHEMBL31428806 0.80 ALDH1A1 (0.56) ALDH1A1L3MBTL1TP53MAPTKDM4E
SCHEMBL31428582 0.80 ALDH1A1 (0.56) ALDH1A1L3MBTL1TP53MAPTKDM4E
SCHEMBL31428597 0.80 ALDH1A1 (0.63) ALDH1A1L3MBTL1TP53MAPTKDM4E
SCHEMBL24975631 0.80 ALDH1A1 (0.56) ALDH1A1L3MBTL1TP53MAPTKDM4E
SCHEMBL16621161 0.80 ALDH1A1 (0.63) ALDH1A1L3MBTL1TP53MAPTKDM4E
SCHEMBL3879992 0.77 ALDH1A1 (0.56) ALDH1A1L3MBTL1TP53MAPTKDM4E
SCHEMBL31429002 0.76 ALDH1A1 (0.52) ALDH1A1L3MBTL1TP53MAPTKDM4E
SCHEMBL24975629 0.76 ALDH1A1 (0.52) ALDH1A1L3MBTL1TP53MAPTKDM4E

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 ALDH1A1 2352/4885L3MBTL1 1560/4885TP53 34/4885

“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.