SCHEMBL31428987

SCHEMBL31428987

O=Cc1cc(-c2ncccn2)c2cc(C(=O)N3CCOCC3)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.44
ERN1 O75460 3/20 0.44
HPGD P15428 4/20 0.44
JAK2 O60674 1/20 0.43
CNR1 P21554 1/20 0.43
GRM2 Q14416 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 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
SCHEMBL31428711 0.88 GRM2 (0.51) ERN1HPGDJAK2CNR1GRM2
SCHEMBL31428928 0.87 RIPK1 (0.44) RIPK1ERN1HPGDPKMMKNK1
SCHEMBL24977234 0.87 RIPK1 (0.44) RIPK1ERN1HPGDPKMMKNK1
SCHEMBL31428554 0.86 HPGD (0.44) RIPK1ERN1HPGDALDH1A1CYP1A2
SCHEMBL31428712 0.86 GRM2 (0.49) ERN1HPGDGRM2PKMSMN1; SMN2
SCHEMBL31428784 0.86 MAPT (0.52) RIPK1ERN1HPGDGRM2ALDH1A1
SCHEMBL31428671 0.85 HPGD (0.50) ERN1HPGDJAK2CNR1GRM2
SCHEMBL31428604 0.85 CCNC (0.43) ERN1HPGDGRM2PKMSMN1; SMN2
SCHEMBL24977240 0.85 HPGD (0.45) RIPK1ERN1HPGDGRM2SMN1; SMN2
SCHEMBL31428994 0.85 ERN1 (0.41) ERN1HPGDCNR1GRM2SMN1; SMN2

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 RIPK1 546/4885ERN1 1375/4885HPGD 4233/4885

“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.