SCHEMBL5148709

SCHEMBL5148709

COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(CCNC(N)=O)cc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.48
PTGS1 P23219 5/20 0.47
PDPK1 O15530 4/20 0.47
CYP2C9 P11712 1/20 0.46
ALOX5 P09917 1/20 0.45

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
SCHEMBL14504549 0.92 PTGS2 (0.53) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL14504550 0.92 PTGS2 (0.48) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL14504684 0.91 PTGS2 (0.46) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL5147834 0.91 PTGS2 (0.49) PTGS2PTGS1CYP2C9ALOX5
SCHEMBL14504531 0.90 PTGS2 (0.47) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL14504410 0.90 PTGS2 (0.47) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL14504538 0.90 PTGS2 (0.46) PTGS2PTGS1PDPK1CYP2C9ALOX5
SCHEMBL14504551 0.90 PTGS2 (0.46) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL14504515 0.89 PTGS2 (0.45) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL14504717 0.89 PTGS2 (0.52) PTGS2PTGS1CYP2C9ALOX5

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
EP-1567503-B1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS ASTELLAS PHARMA INC (JP) 2011-12-21 EP disclosed
US-20070112037-A1 Pyrazole Derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 US disclosed
US-7183306-B2 Pyrazole derivatives ASTELLAS PHARMA INC. (JP) 2007-02-27 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-20070112037-A1 Pyrazole Derivatives CYP11B2, CYP11B1, CYP3A43 PTGS2 1780/4885PTGS1 1105/4885PDPK1 2205/4885

“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.