SCHEMBL31428554

SCHEMBL31428554

O=Cc1cc(-c2cccnc2-c2ccccc2)c2cc(C(=O)N3CCOCC3)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.44
RIPK1 Q13546 1/20 0.43
ERN1 O75460 2/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
PLAUR Q03405 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL31428671 0.89 HPGD (0.50) HPGDERN1ALDH1A1LMNATSHR
SCHEMBL31428711 0.88 GRM2 (0.51) HPGDERN1ALDH1A1LMNATSHR
SCHEMBL31428749 0.87 ALDH1A1 (0.46) HPGDRIPK1ALDH1A1LMNATSHR
SCHEMBL31428987 0.86 RIPK1 (0.44) HPGDRIPK1ERN1ALDH1A1MKNK1
SCHEMBL24977234 0.86 RIPK1 (0.44) HPGDRIPK1ERN1MKNK1MKNK2
SCHEMBL31428928 0.86 RIPK1 (0.44) HPGDRIPK1ERN1MKNK1MKNK2
SCHEMBL31428784 0.85 MAPT (0.52) HPGDRIPK1ERN1ALDH1A1LMNA
SCHEMBL31428481 0.84 ERN1 (0.52) HPGDERN1ALDH1A1LMNATSHR
SCHEMBL31428976 0.83 PDCD1 (0.43) HPGDRIPK1ALDH1A1LMNATSHR
SCHEMBL31428712 0.82 GRM2 (0.49) HPGDERN1ALDH1A1CYP1A2CYP3A4

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 HPGD 4233/4885RIPK1 546/4885ERN1 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.