SCHEMBL31428587

SCHEMBL31428587

O=Cc1cc(-c2cccc(-c3cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)c2)c2cc(C(=O)N3CCOCC3)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
ERN1 O75460 5/20 0.42
PLK4 O00444 1/20 0.38
JAK2 O60674 1/20 0.38
MAP4K4 O95819 1/20 0.38
ROS1 P08922 1/20 0.38
FGFR1 P11362 1/20 0.38
FLT1 P17948 1/20 0.38
MARK3 P27448 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38
CLK2 P49760 1/20 0.38
CSNK1G2 P78368 1/20 0.38
MAP4K2 Q12851 1/20 0.38
ROCK1 Q13464 1/20 0.38
NTRK3 Q16288 1/20 0.38
MINK1 Q8N4C8 1/20 0.38
AURKB Q96GD4 1/20 0.38

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
SCHEMBL31428984 0.94 CCNC (0.43) CCNCCDK8ERN1GRM2HPGD
SCHEMBL31428654 0.89 CCNC (0.43) CCNCCDK8ERN1PLK4JAK2
SCHEMBL31429007 0.87 CCNC (0.56) CCNCCDK8ERN1PLK4JAK2
SCHEMBL31428481 0.87 ERN1 (0.52) ERN1JAK2GRM2HPGDALDH1A1
SCHEMBL31428472 0.85 PDCD1 (0.40) CCNCCDK8ERN1PLK4JAK2
SCHEMBL31428711 0.83 GRM2 (0.51) ERN1JAK2GRM2HPGDALDH1A1
SCHEMBL31428786 0.83 CCNC (0.44) CCNCCDK8GRM2HPGDALDH1A1
SCHEMBL24975791 0.80 CCNC (0.58) CCNCCDK8ERN1GRM2HPGD
SCHEMBL31428857 0.80 CCNC (0.58) CCNCCDK8ERN1GRM2HPGD
SCHEMBL31428784 0.79 MAPT (0.52) ERN1GRM2HPGDALDH1A1LMNA

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 CCNC 1310/4885CDK8 1499/4885ERN1 1375/4885

“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.