SCHEMBL15529099

SCHEMBL15529099

Cn1nc(-c2cc(C(F)(F)F)n(-c3ccc(NCc4c(F)cccc4F)cn3)n2)oc1=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.39
STIM1 Q13586 2/20 0.39
ORAI1 Q96D31 2/20 0.39
IL2 P60568 4/20 0.36
CRACR2A Q9BSW2 6/20 0.36
TNF P01375 1/20 0.35
BRD4 O60885 1/20 0.33
KMT2A Q03164 1/20 0.33
NOTUM Q6P988 1/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL16651390 0.94 IL2 (0.38) EPHX2STIM1ORAI1IL2TNF
SCHEMBL30096543 0.89 IL2 (0.40) STIM1ORAI1IL2CRACR2ATNF
SCHEMBL15530178 0.89 IL2 (0.40) STIM1ORAI1IL2CRACR2ATNF
SCHEMBL15529590 0.88 IL2 (0.36) STIM1ORAI1IL2CRACR2ATNF
SCHEMBL30096535 0.88 IL2 (0.36) STIM1ORAI1IL2CRACR2ATNF
SCHEMBL16650134 0.87 IL2 (0.37) STIM1ORAI1IL2CRACR2ATNF
SCHEMBL15529324 0.84 EPHX2 (0.39) EPHX2STIM1ORAI1CRACR2ABRD4
SCHEMBL15529167 0.84 IL2 (0.53) EPHX2STIM1ORAI1IL2CRACR2A
SCHEMBL30096530 0.83 STIM1 (0.49) EPHX2STIM1ORAI1IL2TNF
SCHEMBL15529855 0.83 STIM1 (0.49) EPHX2STIM1ORAI1IL2TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-27 US claimed
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
WO-2015187827-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-12-10 WO disclosed
US-20150111925-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2015-04-23 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 (3 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 EPHX2 4022/4885STIM1 38/4885ORAI1 1/4885
US-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME ZC3HAV1, MAVS, EIF2AK2 EPHX2 2369/4885STIM1 2753/4885ORAI1 3769/4885
US-20160304507-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 EPHX2 4022/4885STIM1 38/4885ORAI1 1/4885

“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.