SCHEMBL15529650

SCHEMBL15529650

Cn1nc(-c2cc(C3CC3)n(-c3ccc(NC(=O)c4c(F)cccc4F)cn3)n2)oc1=O

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 13/20 0.69
IL2 P60568 5/20 0.51
TNF P01375 1/20 0.51
STIM1 Q13586 1/20 0.51
ORAI1 Q96D31 1/20 0.51
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
DGAT1 O75907 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
SCHEMBL30096555 1.00 CRACR2A (0.69) CRACR2AIL2TNFSTIM1ORAI1
SCHEMBL15529826 0.87 IL2 (0.57) CRACR2AIL2TNFSTIM1ORAI1
SCHEMBL30096518 0.87 CRACR2A (0.67) CRACR2AIL2TNFSTIM1ORAI1
SCHEMBL15528989 0.87 CRACR2A (0.67) CRACR2AIL2TNFSTIM1ORAI1
SCHEMBL15529167 0.85 IL2 (0.53) CRACR2AIL2TNFSTIM1ORAI1
SCHEMBL30096532 0.85 IL2 (0.53) CRACR2AIL2TNFSTIM1ORAI1
SCHEMBL15529867 0.85 IL2 (0.53) CRACR2AIL2TNFSTIM1ORAI1
SCHEMBL1667877 0.82 CRACR2A (1.00) CRACR2ANPC1RAB9A
Hydrochloric Acid SCHEMBL1668251 0.81 CRACR2A (0.98) CRACR2ANPC1RAB9A
SCHEMBL12638138 0.81 CRACR2A (0.80) CRACR2ANPC1RAB9A

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 21 patents — showing the first 20. 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-12544371-B2 Methods and compositions for treating acute lung injury and acute respiratory distress syndrome CALCIMEDICA, INC. (US) 2026-02-10 US disclosed
US-20230120819-A1 METHODS AND COMPOSITIONS FOR TREATING ACUTE LUNG INJURY AND ACUTE RESPIRATORY DISTRESS SYNDROME AVENUE CAPITAL MANAGEMENT II, L.P. 2023-04-20 US disclosed
CN-115835878-A Methods and compositions for treating acute lung injury and acute respiratory distress syndrome 钙医学公司 2023-03-21 CN disclosed
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-12544371-B2 Methods and compositions for treating acute lung injury and acute respiratory distress syndrome ORAI1, MAVS, CASR CRACR2A 80/4885IL2 84/4885TNF 82/4885
US-20150111925-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 CRACR2A 127/4885IL2 2916/4885TNF 3547/4885
US-20230120819-A1 METHODS AND COMPOSITIONS FOR TREATING ACUTE LUNG INJURY AND ACUTE RESPIRATORY DISTRESS SYNDROME MAVS, ATF1, IL1B CRACR2A 162/4885IL2 247/4885TNF 82/4885
US-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME ZC3HAV1, MAVS, EIF2AK2 CRACR2A 1735/4885IL2 3340/4885TNF 981/4885
US-20160304507-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 CRACR2A 127/4885IL2 2916/4885TNF 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.