SCHEMBL7916875

SCHEMBL7916875

CC1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CN(c2ncc(C)s2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IL2 P60568 10/20 0.42
STIM1 Q13586 1/20 0.42
ORAI1 Q96D31 1/20 0.42
ORAI2 Q96SN7 1/20 0.42
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RORC P51449 1/20 0.33

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
Hydrochloric Acid SCHEMBL1782663 0.99 IL2 (0.42) IL2STIM1ORAI1ORAI2RAB9A
SCHEMBL1783464 0.96 STIM1 (0.47) IL2STIM1ORAI1ORAI2RAB9A
SCHEMBL1781037 0.94 STIM1 (0.44) IL2STIM1ORAI1ORAI2RAB9A
SCHEMBL7913649 0.91 SMN1; SMN2 (0.37) IL2STIM1ORAI1ORAI2RAB9A
SCHEMBL7922380 0.90 IL2 (0.42) IL2STIM1ORAI1ORAI2RAB9A
Hydrochloric Acid SCHEMBL1782512 0.90 SMN1; SMN2 (0.36) IL2STIM1ORAI1ORAI2RAB9A
Hydrochloric Acid SCHEMBL1782891 0.89 IL2 (0.42) IL2STIM1ORAI1ORAI2RAB9A
SCHEMBL8234417 0.87 IL2 (0.42) IL2STIM1ORAI1ORAI2RAB9A
SCHEMBL1779924 0.86 IL2 (0.41) IL2STIM1ORAI1ORAI2RAB9A
Hydrochloric Acid SCHEMBL1781739 0.85 IL2 (0.41) IL2STIM1ORAI1ORAI2RAB9A

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113557020-A Compositions comprising CRAC inhibitors and corticosteroids and methods of use thereof 瑞真药业公司 2021-10-26 CN claimed
EP-3849552-A1 COMPOSITIONS COMPRISING A CRAC INHIBITOR AND A CORTICOSTEROID AND METHODS OF USE THEREOF Rhizen Pharmaceuticals AG (CH) 2021-07-21 EP claimed
WO-2020053834-A1 COMPOSITIONS COMPRISING A CRAC INHIBITOR AND A CORTICOSTEROID AND METHODS OF USE THEREOF RHIZEN PHARMACEUTICALS SA (CH) 2020-03-19 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 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-12544371-B2 Methods and compositions for treating acute lung injury and acute respiratory distress syndrome CALCIMEDICA, INC. (US) 2026-02-10 US disclosed
US-20250120969-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATION INJURY IN THE LUNGS AVENUE CAPITAL MANAGEMENT II, L.P. 2025-04-17 US disclosed
CN-118871110-A Methods and compositions for treating inflammatory lesions of the lung 钙医学公司 2024-10-29 CN 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
EP-4121089-A1 METHODS AND COMPOSITIONS FOR TREATING ACUTE LUNG INJURY AND ACUTE RESPIRATORY DISTRESS SYNDROME Calcimedica, Inc. (US) 2023-01-25 EP disclosed
CN-113557020-A Compositions comprising CRAC inhibitors and corticosteroids and methods of use thereof 瑞真药业公司 2021-10-26 CN 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-20130303542-A1 SUBSTITUTED PYRAZINAMIDE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2013-11-14 US disclosed
US-20120183579-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-07-19 US disclosed
US-20110118281-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2011-05-19 US disclosed
US-20110118281-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2011-05-19 US disclosed
US-20100125080-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-05-20 US disclosed
US-20100125080-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-05-20 US disclosed
WO-2010039236-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-04-08 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 (8 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-20130303542-A1 SUBSTITUTED PYRAZINAMIDE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NLRP3, NLRP1, CXCL8 IL2 5/4885STIM1 1974/4885ORAI1 1558/4885
US-12544371-B2 Methods and compositions for treating acute lung injury and acute respiratory distress syndrome ORAI1, MAVS, CASR IL2 84/4885STIM1 231/4885ORAI1 1/4885
US-20100125080-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 IL2 11/4885STIM1 924/4885ORAI1 729/4885
US-20120183579-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 IL2 11/4885STIM1 924/4885ORAI1 729/4885
US-20250120969-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATION INJURY IN THE LUNGS IL1B, MAVS, MMP8 IL2 264/4885STIM1 852/4885ORAI1 92/4885
US-20230120819-A1 METHODS AND COMPOSITIONS FOR TREATING ACUTE LUNG INJURY AND ACUTE RESPIRATORY DISTRESS SYNDROME MAVS, ATF1, IL1B IL2 247/4885STIM1 943/4885ORAI1 68/4885
US-20110118281-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 IL2 11/4885STIM1 924/4885ORAI1 729/4885
US-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME ZC3HAV1, MAVS, EIF2AK2 IL2 3340/4885STIM1 2753/4885ORAI1 3769/4885

“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.