SCHEMBL9910062

SCHEMBL9910062

CC(C)(C)n1ccn2nccc2c1=O

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL31752145 0.76 ALDH1A1 (0.36) ALDH1A1HTTSMN1; SMN2HSD17B10
SCHEMBL26155644 0.71
SCHEMBL27329638 0.71 MAP4K4 (0.35) ALDH1A1HTTSMN1; SMN2HSD17B10
SCHEMBL9910957 0.70 TNKS (0.37) ALDH1A1SMN1; SMN2
SCHEMBL23229058 0.69
SCHEMBL27329520 0.69
SCHEMBL21363432 0.68 TRPA1 (0.33) ALDH1A1
SCHEMBL13431385 0.64 MAP4K4 (0.37) ALDH1A1HTT
SCHEMBL15357740 0.63 MGLL (0.36) ALDH1A1
SCHEMBL21672538 0.63 MAP4K4 (0.33)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198448-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2012-06-12 US disclosed
US-20120107275-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-05-03 US disclosed
US-20090318436-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-12-24 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 (2 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-20090318436-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET ALDH1A1 156/4885HTT 595/4885SMN1; SMN2 1183/4885
US-20120107275-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET ALDH1A1 156/4885HTT 595/4885SMN1; SMN2 1183/4885

“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.