SCHEMBL31428876

SCHEMBL31428876

O=Cc1cc(-c2cnc3ccccc3c2)c2cc(C(=O)N3CCOCC3)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.53
MKNK2 Q9HBH9 2/20 0.53
PIK3CA P42336 4/20 0.47
HPGD P15428 3/20 0.46
FASN P49327 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PIK3CD O00329 2/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
AKR1C3 P42330 1/20 0.45
PLK4 O00444 1/20 0.43
JAK2 O60674 1/20 0.43
MAP4K4 O95819 1/20 0.43
ROS1 P08922 1/20 0.43
FGFR1 P11362 1/20 0.43
FLT1 P17948 1/20 0.43
MARK3 P27448 1/20 0.43

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
SCHEMBL31428711 0.88 GRM2 (0.51) HPGDKDM4EJAK2ALDH1A1LMNA
SCHEMBL31428923 0.87 MKNK1 (0.54) MKNK1MKNK2PIK3CAHPGDFASN
SCHEMBL31428481 0.85 ERN1 (0.52) HPGDJAK2ALDH1A1LMNATSHR
SCHEMBL31428784 0.84 MAPT (0.52) HPGDALDH1A1LMNAGRM2ERN1
SCHEMBL31428671 0.84 HPGD (0.50) HPGDJAK2ALDH1A1LMNATSHR
SCHEMBL31429121 0.84 AR (0.56) HPGDKDM4ESMN1; SMN2ALDH1A1GRM2
SCHEMBL31428987 0.83 RIPK1 (0.44) MKNK1MKNK2HPGDKDM4ESMN1; SMN2
SCHEMBL31428712 0.82 GRM2 (0.49) HPGDKDM4ESMN1; SMN2ALDH1A1GRM2
SCHEMBL24977229 0.82 GRM2 (0.48) HPGDNPC1HSD17B10ALDH1A1GRM2
SCHEMBL31428605 0.82 GRM2 (0.48) HPGDNPC1HSD17B10ALDH1A1GRM2

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 MKNK1 511/4885MKNK2 785/4885PIK3CA 349/4885

“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.