SCHEMBL1367372

SCHEMBL1367372

[c]1ccc2c(c1)SCCN2

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
GAA P10253 1/20 0.58
KMT2A Q03164 1/20 0.58
RYR2 Q92736 2/20 0.35

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
SCHEMBL910059 0.85 MEN1 (0.53) MEN1ALDH1A1GAAKMT2ARYR2
SCHEMBL2028082 0.80
SCHEMBL29364653 0.75 GAA (0.96) MEN1ALDH1A1GAAKMT2ARYR2
SCHEMBL3556450 0.75 GAA (0.96) MEN1ALDH1A1GAAKMT2ARYR2
SCHEMBL88911 0.75 GAA (0.96) MEN1ALDH1A1GAAKMT2ARYR2
SCHEMBL910499 0.74 MEN1 (0.42) MEN1ALDH1A1GAAKMT2A
SCHEMBL1147443 0.70
SCHEMBL3813285 0.70 MEN1 (0.34) MEN1ALDH1A1GAAKMT2A
SCHEMBL7998823 0.67 MAOB (0.53) ALDH1A1GAA
SCHEMBL5759488 0.67 GAA (0.55) MEN1ALDH1A1GAAKMT2ARYR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067599-B2 Imidazo [4,5-B] pyridine and pyrrolo [2,3-B] pyridine protein kinase inhibitors HOFFMAN-LA ROCHE INC. (US) 2011-11-29 US claimed
US-20090318428-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS HOFFMANN-LA ROCHE, INC. 2009-12-24 US claimed
US-8067599-B2 Imidazo [4,5-B] pyridine and pyrrolo [2,3-B] pyridine protein kinase inhibitors HOFFMAN-LA ROCHE INC. (US) 2011-11-29 US disclosed
US-20090318428-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS HOFFMANN-LA ROCHE, INC. 2009-12-24 US disclosed
EP-2064213-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2009-06-03 EP disclosed
WO-2008028617-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-13 WO 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-20090318428-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS MAP3K5, MAP3K1, PRKACA MEN1 2591/4885ALDH1A1 1899/4885GAA 1267/4885

“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.