SCHEMBL31428846

SCHEMBL31428846

NC(=O)c1ccc2nc(C=O)cc(-c3ccccc3-c3ccccc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.46
CHEK2 O96017 8/20 0.45
DPP4 P27487 1/20 0.42
GRM2 Q14416 3/20 0.40
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 1/20 0.39
ERN1 O75460 1/20 0.39
JAK3 P52333 2/20 0.38
CDC7 O00311 1/20 0.38
PLK4 O00444 1/20 0.38
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
MAPK13 O15264 1/20 0.38
PDPK1 O15530 1/20 0.38
DYRK3 O43781 1/20 0.38
ROCK2 O75116 1/20 0.38
RPS6KA5 O75582 1/20 0.38
PRKD3 O94806 1/20 0.38
PAK4 O96013 1/20 0.38
ABL1 P00519 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
SCHEMBL24976114 1.00 IP6K1 (0.46) IP6K1CHEK2DPP4GRM2MKNK1
SCHEMBL31428714 0.82 IP6K1 (0.48) IP6K1CHEK2DPP4MKNK1MKNK2
SCHEMBL24976057 0.82 IP6K1 (0.48) IP6K1CHEK2DPP4MKNK1MKNK2
SCHEMBL31428706 0.82 ABCG2 (0.47) LCKHDAC3HDAC1HDAC2HDAC8
SCHEMBL24977054 0.82 ABCG2 (0.47) LCKHDAC3HDAC1HDAC2HDAC8
SCHEMBL24976120 0.79 MAPT (0.57) ERN1MEN1ALDH1A1KMT2A
SCHEMBL31428817 0.79 MAPT (0.57) ERN1MEN1ALDH1A1KMT2A
SCHEMBL31428671 0.79 HPGD (0.50) GRM2ERN1JAK3JAK2JAK1
SCHEMBL31428814 0.78 MAPK1 (0.43) IP6K1CHEK2DPP4JAK3CDC7
SCHEMBL18152462 0.75 ERN1 (0.51) IP6K1CHEK2MKNK1MKNK2ERN1

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 IP6K1 1834/4885CHEK2 956/4885DPP4 4644/4885

“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.