SCHEMBL15528930

SCHEMBL15528930

Cn1nc(-c2cc(C3CC3)nn2-c2ccc(NCc3c(F)cccc3F)cn2)oc1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 9/20 0.47
IL2 P60568 4/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
STIM1 Q13586 2/20 0.35
ORAI1 Q96D31 2/20 0.35
TNF P01375 1/20 0.35
EED O75530 1/20 0.34
RBBP4 Q09028 1/20 0.34
SUZ12 Q15022 1/20 0.34
EZH2 Q15910 1/20 0.34
AEBP2 Q6ZN18 1/20 0.34
PDE2A O00408 1/20 0.34
BRD4 O60885 1/20 0.32
CHRM3 P20309 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL16660122 0.87 IL2 (0.40) CRACR2AIL2STIM1ORAI1TNF
SCHEMBL15529403 0.85 IL2 (0.36) IL2STIM1ORAI1TNF
SCHEMBL15528989 0.84 CRACR2A (0.67) CRACR2AIL2STIM1ORAI1TNF
SCHEMBL30096518 0.84 CRACR2A (0.67) CRACR2AIL2STIM1ORAI1TNF
SCHEMBL15530178 0.82 IL2 (0.40) CRACR2AIL2STIM1ORAI1TNF
SCHEMBL30096543 0.82 IL2 (0.40) CRACR2AIL2STIM1ORAI1TNF
SCHEMBL16650134 0.80 IL2 (0.37) CRACR2AIL2STIM1ORAI1TNF
SCHEMBL15529590 0.80 IL2 (0.36) CRACR2AIL2STIM1ORAI1TNF
SCHEMBL15529099 0.80 EPHX2 (0.39) CRACR2AIL2STIM1ORAI1TNF
SCHEMBL30096535 0.80 IL2 (0.36) CRACR2AIL2STIM1ORAI1TNF

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 20 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
WO-2015187827-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-12-10 WO 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-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 disclosed
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-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-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
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 (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 CRACR2A 127/4885IL2 2916/4885CCNT1 4662/4885
US-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME ZC3HAV1, MAVS, EIF2AK2 CRACR2A 1735/4885IL2 3340/4885CCNT1 4357/4885
US-20160304507-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 CRACR2A 127/4885IL2 2916/4885CCNT1 4662/4885

“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.