SCHEMBL7326256

SCHEMBL7326256

O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1c(F)cccc1F

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 3/20 0.67
TRPC3 Q13507 3/20 0.67
TRPC1 P48995 1/20 0.67
STIM1 Q13586 1/20 0.67
TP53 P04637 3/20 0.60
TRPC5 Q9UL62 1/20 0.60
THRB P10828 2/20 0.58
CRACR2A Q9BSW2 6/20 0.58
MAPT P10636 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.53
EPHX2 P34913 3/20 0.49
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
HTT P42858 1/20 0.48
NOD2 Q9HC29 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
SCHEMBL7315607 0.93 ORAI1 (0.62) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL7321270 0.92 ORAI1 (0.66) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL7327901 0.91 ORAI1 (0.67) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL14887701 0.90 ORAI1 (0.75) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL7326083 0.90 CRACR2A (0.57) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL7325983 0.88 ORAI1 (0.67) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL7327861 0.88 ORAI1 (0.69) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL7326834 0.87 ORAI1 (0.75) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL14887703 0.87 CRACR2A (0.57) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL7325653 0.86 MAPT (0.71) 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 9 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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 US disclosed
US-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 US disclosed
WO-2013059666-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-04-25 WO disclosed
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 (2 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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ORAI1 1/4885TRPC3 39/4885TRPC1 34/4885
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.