SCHEMBL15021884

SCHEMBL15021884

Cn1nc(C(F)(F)F)cc1-c1cnc2[nH]c(-c3ccccc3Cl)cc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 3/20 0.38
▸ ORAI1 Q96D31 3/20 0.38
▸ AURKA O14965 2/20 0.37
▸ JAK2 O60674 2/20 0.37
▸ ABL1 P00519 2/20 0.37
▸ RET P07949 2/20 0.37
▸ KDR P35968 2/20 0.37
▸ FLT3 P36888 2/20 0.37
▸ GSK3B P49841 2/20 0.37
▸ CDK7 P50613 2/20 0.37
▸ CDK5 Q00535 2/20 0.37
▸ PTK2 Q05397 2/20 0.37
▸ PRKAA1 Q13131 2/20 0.37
▸ ROCK1 Q13464 2/20 0.37
▸ LRRK2 Q5S007 2/20 0.37
▸ AURKB Q96GD4 2/20 0.37
▸ CLK4 Q9HAZ1 2/20 0.37
▸ PTGS2 P35354 2/20 0.37
▸ LIMK1 P53667 1/20 0.37
▸ PTGS1 P23219 1/20 0.37

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
SCHEMBL30096544 1.00 STIM1 (0.38) STIM1ORAI1AURKAJAK2ABL1
SCHEMBL15021651 0.85 CDK5 (0.43) STIM1ORAI1AURKAJAK2ABL1
SCHEMBL15021833 0.85 ORAI1 (0.41) STIM1ORAI1RIPK2RIPK3TRPV3
SCHEMBL30096573 0.85 ORAI1 (0.41) STIM1ORAI1RIPK2RIPK3TRPV3
SCHEMBL15033683 0.84 TRPV3 (0.39) PTGS2PTGS1RIPK2RIPK3TRPV3
SCHEMBL15751092 0.82 ORAI1 (0.45) STIM1ORAI1AURKAJAK2ABL1
SCHEMBL14622588 0.75 PTGS2 (0.54) PTGS2PTGS1RIPK2RIPK3KMT2A
SCHEMBL1459968 0.74 FFAR1 (0.40) STIM1ORAI1PTGS2PTGS1
SCHEMBL15750816 0.74 ORAI1 (0.43) STIM1ORAI1FGFR2FGFR3
SCHEMBL15022718 0.73 TRPV3 (0.38) STIM1ORAI1JAK2PTGS2PTGS1

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 18 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
WO-2015187827-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-12-10 — — WO claimed
WO-2013092444-A1 DIAZAINDOLE INHIBITORS OF CRAC F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 — — WO claimed
US-20130158040-A1 DIAZAINDOLE INHIBITORS OF CRAC HOFFMANN-LA ROCHE INC. (US) 2013-06-20 — — US 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
WO-2023141523-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATION INJURY IN THE LUNGS CALCIMEDICA, INC. (US) 2023-07-27 — — WO 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
WO-2021189013-A1 METHODS AND COMPOSITIONS FOR TREATING ACUTE LUNG INJURY AND ACUTE RESPIRATORY DISTRESS SYNDROME CALCIMEDICA, INC. (US) 2021-09-23 — — WO 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
WO-2015187827-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-12-10 — — WO disclosed
WO-2013092444-A1 DIAZAINDOLE INHIBITORS OF CRAC F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 — — WO disclosed
WO-2013092444-A1 DIAZAINDOLE INHIBITORS OF CRAC F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 — — WO disclosed
US-20130158040-A1 DIAZAINDOLE INHIBITORS OF CRAC HOFFMANN-LA ROCHE INC. (US) 2013-06-20 — — US disclosed
US-20130158040-A1 DIAZAINDOLE INHIBITORS OF CRAC HOFFMANN-LA ROCHE INC. (US) 2013-06-20 — — US disclosed
US-20130158040-A1 DIAZAINDOLE INHIBITORS OF CRAC HOFFMANN-LA ROCHE INC. (US) 2013-06-20 — — 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 STIM1 231/4885ORAI1 1/4885AURKA 2117/4885
US-20130158040-A1 DIAZAINDOLE INHIBITORS OF CRAC ORAI2, ORAI1, RYR2 STIM1 38/4885ORAI1 2/4885AURKA 4450/4885
US-20250120969-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATION INJURY IN THE LUNGS IL1B, MAVS, MMP8 STIM1 852/4885ORAI1 92/4885AURKA 4010/4885
US-20230120819-A1 METHODS AND COMPOSITIONS FOR TREATING ACUTE LUNG INJURY AND ACUTE RESPIRATORY DISTRESS SYNDROME MAVS, ATF1, IL1B STIM1 943/4885ORAI1 68/4885AURKA 3689/4885
US-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME ZC3HAV1, MAVS, EIF2AK2 STIM1 2753/4885ORAI1 3769/4885AURKA 4571/4885

“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.

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