SCHEMBL7319734

SCHEMBL7319734

N#Cc1cc(C(F)(F)F)nn1-c1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.50
PTGS1 P23219 7/20 0.50
PDPK1 O15530 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
MCL1 Q07820 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP2C9 P11712 1/20 0.39

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
SCHEMBL3289186 0.84 PTGS1 (0.58) PTGS2PTGS1PDPK1KDM4EALDH1A1
SCHEMBL22122152 0.81 PTGS2 (0.52) PTGS2PTGS1PDPK1KDM4EALDH1A1
SCHEMBL22122126 0.81 PTGS2 (0.43) PTGS2PTGS1PDPK1KDM4EALDH1A1
SCHEMBL7319092 0.79 PTGS1 (0.60) PTGS2PTGS1PDPK1MAPTCYP2C9
SCHEMBL3277337 0.78 PTGS2 (0.55) PTGS2PTGS1KDM4EALDH1A1MAPT
SCHEMBL7242014 0.76 PTGS2 (0.53) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL14887387 0.76 PTGS2 (0.57) PTGS2PTGS1PDPK1MAPTALOX15
SCHEMBL7323665 0.76 PTGS2 (0.53) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL18865526 0.76 PDPK1 (0.53) PTGS2PTGS1PDPK1
SCHEMBL14659371 0.75 TRPV1 (0.48)

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-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES 2001-11-22 US disclosed
EP-1068187-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 2001-01-17 EP disclosed
WO-1999051580-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 1999-10-14 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-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION IL5, IL2, IL4 PTGS2 158/4885PTGS1 197/4885PDPK1 3706/4885

“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.