SCHEMBL13628700

SCHEMBL13628700

CCc1ccc(-c2nnn[nH]2)o1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CYP1A2 P05177 1/20 0.31
CYP2E1 P05181 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL4781959 0.77 ALDH1A1 (0.38) PTGS1PTGS2CHRM2CHRM4CHRM5
SCHEMBL22431061 0.74
SCHEMBL24502044 0.73
SCHEMBL2898504 0.73 SMN1; SMN2 (0.40) PTGS1PTGS2CHRM2CHRM4CHRM5
SCHEMBL13628709 0.72 ALOX5 (0.36) ALOX5PTGS1PTGS2CHRM2CHRM4
SCHEMBL13628705 0.71 NOTUM (0.30)
SCHEMBL24501679 0.69
SCHEMBL13628718 0.69 ALOX5 (0.36) ALOX5PTGS1PTGS2CHRM2CHRM4
SCHEMBL5950322 0.66 TP53 (0.49)
SCHEMBL13628703 0.66 MEN1 (0.34) PTGS2CYP1A2CYP2E1CYP2C8CYP2D6

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-20220177457-A1 SMALL MOLECULES THAT BIND CYCLIN-DEPENDENT KINASE INHIBITOR 1B (P27KIP1) NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-06-09 US disclosed
US-7612070-B2 Heterocyclic compounds as antiinflammatory agents and cyclooxygenase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-11-03 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-20220177457-A1 SMALL MOLECULES THAT BIND CYCLIN-DEPENDENT KINASE INHIBITOR 1B (P27KIP1) CDK7, CDK2, CCNI ALOX5 3835/4885PTGS1 3628/4885PTGS2 4187/4885

“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.