SCHEMBL31428461

SCHEMBL31428461

c1cnc2ccc(N3CCN(C4COC4)CC3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.44
KDM2B Q8NHM5 1/20 0.43
SYK P43405 2/20 0.43
HRH3 Q9Y5N1 1/20 0.42
HTR1A P08908 1/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HTR3A P46098 1/20 0.41
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
KMT2A Q03164 1/20 0.40
PSMD14 O00487 1/20 0.40
TP53 P04637 1/20 0.40
MMP2 P08253 1/20 0.40

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
SCHEMBL27778735 0.80 CBFB (0.55) CHRNA7NCOA3SYKGAAKDM4E
SCHEMBL30163574 0.79 HRH3 (0.42) SYKHRH3HTR1AKDM4EMAPT
SCHEMBL31428922 0.79 CHKA (0.60) HRH3HTR1AMEN1KMT2AMET
SCHEMBL28874935 0.78 TERT (0.56) CHRNA7NCOA3HTR1AGAAKDM4E
SCHEMBL4212685 0.77 GAA (0.67) CHRNA7NCOA3HTR1AGAAKDM4E
SCHEMBL28306659 0.77 TERT (0.57) CHRNA7NCOA3GAAKDM4EALDH1A1
SCHEMBL17543991 0.77 CHRNA7 (0.47) CHRNA7NCOA3HTR1AGAAKDM4E
SCHEMBL31428919 0.77 CCR3 (0.55) POLBMEN1KMT2A
SCHEMBL31428787 0.76 HRH3 (0.40) SYKHRH3ALDH1A1JAK2AKR1C3
SCHEMBL4216672 0.75 CHRNA7 (0.54) CHRNA7NCOA3HTR1AGAAKDM4E

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 CHRNA7 4801/4885NCOA3 1121/4885KDM2B 3228/4885

“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.