SCHEMBL7326362

SCHEMBL7326362

COc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2ccncc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 5/20 0.66
ORAI1 Q96D31 3/20 0.56
EPHX2 P34913 2/20 0.53
TRPC1 P48995 1/20 0.53
TRPC3 Q13507 1/20 0.53
STIM1 Q13586 1/20 0.53
MAPT P10636 6/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 1/20 0.52
THRB P10828 2/20 0.51
TP53 P04637 1/20 0.49
PDE4B Q07343 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL7321672 0.87 CRACR2A (0.64) CRACR2AORAI1EPHX2TRPC1TRPC3
SCHEMBL7320569 0.85 ORAI1 (0.75) CRACR2AORAI1TRPC1TRPC3STIM1
SCHEMBL7322557 0.84 ORAI1 (0.77) CRACR2AORAI1EPHX2TRPC1TRPC3
SCHEMBL7328210 0.81 MAPT (0.60) CRACR2AORAI1TRPC1TRPC3STIM1
SCHEMBL7327184 0.81 MAPT (0.55) CRACR2AORAI1TRPC1TRPC3STIM1
SCHEMBL7329077 0.81 CRACR2A (0.61) CRACR2AORAI1EPHX2TRPC1TRPC3
SCHEMBL7321677 0.80 CRACR2A (0.66) CRACR2AORAI1EPHX2TRPC1TRPC3
SCHEMBL7314961 0.80 ORAI1 (0.77) CRACR2AORAI1EPHX2TRPC1TRPC3
SCHEMBL1667929 0.80 CRACR2A (1.00) CRACR2AORAI1
SCHEMBL25286098 0.79 ALDH1A1 (0.48) ORAI1MAPTSMN1; SMN2POLBTHRB

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 6 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 claimed
EP-1068187-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 2001-01-17 EP claimed
WO-1999051580-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 1999-10-14 WO claimed
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 3522/4885EPHX2 732/4885

“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.