SCHEMBL7329077

SCHEMBL7329077

CC(C)(C)OC(=O)Nc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2ccncc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 5/20 0.61
ORAI1 Q96D31 3/20 0.52
MAPK13 O15264 4/20 0.49
EPHX2 P34913 2/20 0.49
PTK2 Q05397 1/20 0.49
TRPC1 P48995 1/20 0.48
TRPC3 Q13507 1/20 0.48
STIM1 Q13586 1/20 0.48
MAPK14 Q16539 4/20 0.48
MAPK12 P53778 2/20 0.48
MAPK11 Q15759 2/20 0.48
NAMPT P43490 1/20 0.47
CYP17A1 P05093 1/20 0.45
CCNC P24863 1/20 0.45
CDK8 P49336 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
SCHEMBL7322310 0.83 KCNJ6 (0.52) CRACR2AORAI1MAPK13TRPC1TRPC3
SCHEMBL7320670 0.81 MAPK14 (0.54) MAPK13MAPK14MAPK12MAPK11CCNC
SCHEMBL7326362 0.81 CRACR2A (0.66) CRACR2AORAI1EPHX2TRPC1TRPC3
SCHEMBL7322557 0.80 ORAI1 (0.77) CRACR2AORAI1EPHX2TRPC1TRPC3
SCHEMBL6815524 0.78 NAMPT (0.71) NAMPTCYP17A1
SCHEMBL7326898 0.78 MAPK14 (0.52) MAPK14CCNCCDK8
SCHEMBL7321672 0.77 CRACR2A (0.64) CRACR2AORAI1EPHX2TRPC1TRPC3
SCHEMBL7321677 0.76 CRACR2A (0.66) CRACR2AORAI1EPHX2TRPC1TRPC3
SCHEMBL7314961 0.76 ORAI1 (0.77) CRACR2AORAI1EPHX2TRPC1TRPC3
SCHEMBL1667929 0.76 CRACR2A (1.00) CRACR2AORAI1

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 CRACR2A 3286/4885ORAI1 3522/4885MAPK13 583/4885

“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.