SCHEMBL15529167

SCHEMBL15529167

Cn1nc(-c2cc(C(F)(F)F)n(-c3ccc(NC(=O)c4c(F)cccc4F)cn3)n2)oc1=O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IL2 P60568 6/20 0.53
CRACR2A Q9BSW2 8/20 0.52
TNF P01375 1/20 0.52
STIM1 Q13586 1/20 0.52
ORAI1 Q96D31 1/20 0.52
EPHX2 P34913 3/20 0.50
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
GRM1 Q13255 1/20 0.38
GRM4 Q14833 1/20 0.38
TRPA1 O75762 1/20 0.38

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
SCHEMBL15529365 0.95 IL2 (0.52) IL2CRACR2ATNFSTIM1ORAI1
SCHEMBL15529453 0.94 IL2 (0.55) IL2CRACR2ATNFSTIM1ORAI1
SCHEMBL15529826 0.89 IL2 (0.57) IL2CRACR2ATNFSTIM1ORAI1
SCHEMBL30096532 0.88 IL2 (0.53) IL2CRACR2ATNFSTIM1ORAI1
SCHEMBL15529867 0.88 IL2 (0.53) IL2CRACR2ATNFSTIM1ORAI1
SCHEMBL17318709 0.88 EPHX2 (0.65) CRACR2AEPHX2
SCHEMBL15529650 0.85 CRACR2A (0.69) IL2CRACR2ATNFSTIM1ORAI1
SCHEMBL30096555 0.85 CRACR2A (0.69) IL2CRACR2ATNFSTIM1ORAI1
SCHEMBL15528875 0.85 CRACR2A (0.61) IL2CRACR2ATNFSTIM1ORAI1
SCHEMBL15529478 0.85 CRACR2A (0.52) IL2CRACR2ATNFSTIM1ORAI1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160304507-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-10-20 US claimed
US-9409898-B2 Substituted pyrazole compounds as CRAC modulators LUPIN LIMITED (IN) 2016-08-09 US claimed
US-20150111925-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2015-04-23 US claimed
EP-2844656-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS Lupin Limited (IN) 2015-03-11 EP claimed
WO-2013164773-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2013-11-07 WO claimed
US-20160304507-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-10-20 US disclosed
US-20160304507-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-10-20 US disclosed
US-9409898-B2 Substituted pyrazole compounds as CRAC modulators LUPIN LIMITED (IN) 2016-08-09 US disclosed
US-9409898-B2 Substituted pyrazole compounds as CRAC modulators LUPIN LIMITED (IN) 2016-08-09 US disclosed
US-20150111925-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2015-04-23 US disclosed
US-20150111925-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2015-04-23 US disclosed
EP-2844656-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS Lupin Limited (IN) 2015-03-11 EP disclosed
WO-2013164773-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2013-11-07 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-20150111925-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 IL2 2916/4885CRACR2A 127/4885TNF 3547/4885
US-20160304507-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 IL2 2916/4885CRACR2A 127/4885TNF 3547/4885

“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.