SCHEMBL2618385

SCHEMBL2618385

CS(=O)(=O)c1ccc(-c2nc3ncccc3n2-c2ccc(C3=CC=CC3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
PTGS2 P35354 7/20 0.37
MAOB P27338 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 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
SCHEMBL2602446 0.85 PTGS2 (0.38) PTGS2
SCHEMBL2618378 0.85 PTGS2 (0.49) ATRPTGS2
SCHEMBL2618381 0.84 PTGS2 (0.48) ATRPTGS2MAOBKMT2A
SCHEMBL3439936 0.80 AOC3 (0.43) ATRPTGS2
SCHEMBL2618372 0.79 NR1H2 (0.46) ATRPTGS2KMT2A
SCHEMBL2618380 0.79 ATR (0.43) ATRPTGS2KMT2A
SCHEMBL2618382 0.79 ATR (0.43) ATRPTGS2KMT2A
SCHEMBL2618371 0.79 ATR (0.43) ATRPTGS2KMT2A
SCHEMBL2618373 0.79 PTGS2 (0.42) ATRPTGS2KMT2A
SCHEMBL2607432 0.76 CYP3A4 (0.41) ATRPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334302-B2 Synthesis and anti-proliferative effect of substituted imidazo[4,5-b]pyridine compounds SPELMAN COLLEGE (US) 2012-12-18 US disclosed
US-20120095037-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES SPELMAN COLLEGE (US) 2012-04-19 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-20120095037-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES MKI67, CCNI, TYMP ATR 980/4885GPR119 1984/4885PTGS2 734/4885

“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.