SCHEMBL7314927

SCHEMBL7314927

O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1ccccn1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 4/20 0.67
TRPC3 Q13507 2/20 0.62
TRPC1 P48995 1/20 0.62
STIM1 Q13586 1/20 0.62
TP53 P04637 2/20 0.61
TRPC5 Q9UL62 1/20 0.59
MAPT P10636 3/20 0.58
THRB P10828 1/20 0.55
GRM4 Q14833 3/20 0.53
EPHX2 P34913 3/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CRACR2A Q9BSW2 2/20 0.52
PKM P14618 1/20 0.51
HTT P42858 1/20 0.51
KLF5 Q13887 1/20 0.51

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
SCHEMBL7382254 0.87 ORAI1 (0.69) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL7323389 0.85 ORAI1 (0.66) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL7320557 0.85 ORAI1 (0.79) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL7327469 0.84 ORAI1 (0.68) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL7320259 0.83 ORAI1 (0.69) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL7315526 0.82 TP53 (0.71) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL7323681 0.82 KDM4E (0.69) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL7326834 0.82 ORAI1 (0.75) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL7323347 0.82 TP53 (0.67) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL7320077 0.82 TP53 (0.67) ORAI1TRPC3TRPC1STIM1TP53

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 4 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

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 ORAI1 3522/4885TRPC3 4362/4885TRPC1 4287/4885

“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.