SCHEMBL9979718

SCHEMBL9979718

Cc1ccc(-n2nc(CO)cc2C(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.55
CNR2 P34972 7/20 0.55
PTGS2 P35354 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 2/20 0.43
NOTUM Q6P988 1/20 0.43
CDK8 P49336 1/20 0.42
MAPK14 Q16539 2/20 0.40
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
GRN P28799 1/20 0.37
SORT1 Q99523 1/20 0.37

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
SCHEMBL9979714 0.84 CNR1 (0.49) CNR1CNR2PTGS2CA1CA2
SCHEMBL9979626 0.81 PTGS2 (0.62) CNR1CNR2PTGS2CA1CA2
SCHEMBL23402034 0.79 CNR1 (0.52) CNR1CNR2MAPTALDH1A1CDK8
SCHEMBL15460603 0.79 CNR1 (0.44) CNR1CNR2PTGS2CA1CA2
SCHEMBL12298702 0.78 CDK8 (0.54) CNR1CNR2PTGS2MAPTALDH1A1
SCHEMBL12177119 0.76 CA1 (0.76) PTGS2CA1CA2CA9RXRA
SCHEMBL1600235 0.73 CDK8 (0.52) CNR1CNR2PTGS2CA1CA2
SCHEMBL14198873 0.73 TRPC3 (0.59) CNR1CNR2PTGS2CA1CA2
SCHEMBL12285042 0.73 PTGS2 (0.70) CNR1CNR2PTGS2CA1CA2
SCHEMBL9979716 0.72 CNR1 (0.61) CNR1CNR2CA9POLBMAPT

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
US-20140038923-A1 PYRAZOLE INHIBITORS OF COX-2 AND SEH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-06 US disclosed
US-20140038923-A1 PYRAZOLE INHIBITORS OF COX-2 AND SEH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-06 US disclosed
WO-2012082647-A2 PYRAZOLE INHIBITORS OF COX-2 AND sEH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-06-21 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-20140038923-A1 PYRAZOLE INHIBITORS OF COX-2 AND SEH PTGES2, PTGS2, PTGES3 CNR1 552/4885CNR2 158/4885PTGS2 2/4885

“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.