SCHEMBL6507540

SCHEMBL6507540

Cc1c(Br)cncc1CNC(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
CCR5 P51681 1/20 0.33
ALDH1A1 P00352 3/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HIF1A Q16665 1/20 0.31
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
KCNH2 Q12809 1/20 0.30
ADRA2C P18825 1/20 0.30

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
SCHEMBL6508284 0.79 SLC6A2 (0.39)
SCHEMBL112117 0.76 MAP3K8 (0.36) CD274
SCHEMBL5848592 0.73 HTR2A (0.41) LMNAALDH1A1
SCHEMBL21535337 0.72 PKM (0.30)
SCHEMBL31260009 0.71 CYP11B2 (0.38) ALDH1A1RAB9AKDM4EHSD17B10
SCHEMBL14779603 0.71 CYP11B2 (0.38) ALDH1A1RAB9AKDM4EHSD17B10
SCHEMBL5794503 0.71 PDXK (0.37) LMNAALDH1A1KDM4EHSD17B10CD274
SCHEMBL14780348 0.71 AOC3 (0.35)
SCHEMBL14789750 0.69
SCHEMBL31260044 0.69

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-20050090529-A1 3,5 Disubstituted indazole compounds with nitrogen-bearing 5-membered heterocycles, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation PFIZER INC 2005-04-28 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-20050090529-A1 3,5 Disubstituted indazole compounds with nitrogen-bearing 5-membered heterocycles, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, CDK4, CDK9 LMNA 2990/4885CCR5 1795/4885ALDH1A1 3447/4885

“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.