SCHEMBL2602441

SCHEMBL2602441

CS(=O)(=O)c1ccc(-c2nc3nccnc3n2-c2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.43
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
PTGS1 P23219 2/20 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
SCHEMBL2602443 0.90 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL2618372 0.86 NR1H2 (0.46) PTGS2NR1H2NR1H3PTGS1
SCHEMBL2602440 0.85 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL2602438 0.85 JAK2 (0.43) PTGS2PTGS1
SCHEMBL2602444 0.85 MAPK8 (0.43) PTGS2
SCHEMBL2602442 0.85 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL2602439 0.84 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL2607446 0.81 CYP1A2 (0.51) PTGS2
SCHEMBL2602393 0.79 PTGS2 (0.57) PTGS2NR1H2NR1H3
SCHEMBL2602446 0.77 PTGS2 (0.38) PTGS2PTGS1

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-20120095009-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-20120095009-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES MKI67, CCNI, TYMP PTGS2 606/4885NR1H2 4367/4885NR1H3 4518/4885

“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.