SCHEMBL7920820

SCHEMBL7920820

CC1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CN(c2ncccc2Cl)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 1/20 0.44
ORAI1 Q96D31 1/20 0.44
ORAI2 Q96SN7 1/20 0.44
TRPV1 Q8NER1 6/20 0.43
IL2 P60568 5/20 0.42
MALT1 Q9UDY8 6/20 0.41
L3MBTL1 Q9Y468 1/20 0.39

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 SCHEMBL616904 0.99 STIM1 (0.44) STIM1ORAI1ORAI2TRPV1IL2
SCHEMBL7922608 0.93 IL2 (0.43) STIM1ORAI1ORAI2TRPV1IL2
Hydrochloric Acid SCHEMBL614560 0.92 IL2 (0.43) STIM1ORAI1ORAI2TRPV1IL2
SCHEMBL1782159 0.91 IL2 (0.42) STIM1ORAI1ORAI2TRPV1IL2
SCHEMBL616313 0.90 STIM1 (0.43) STIM1ORAI1ORAI2IL2MALT1
SCHEMBL7914099 0.90 IL2 (0.41) STIM1ORAI1ORAI2TRPV1IL2
SCHEMBL614875 0.90 IL2 (0.43) STIM1ORAI1ORAI2TRPV1IL2
SCHEMBL615230 0.89 STIM1 (0.46) STIM1ORAI1ORAI2IL2L3MBTL1
SCHEMBL10101276 0.87 IL2 (0.40) STIM1ORAI1ORAI2TRPV1IL2
SCHEMBL616586 0.87 TRPV1 (0.41) STIM1ORAI1ORAI2TRPV1IL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303542-A1 SUBSTITUTED PYRAZINAMIDE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2013-11-14 US disclosed
US-8349841-B2 Vinyl-aryl derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-01-08 US disclosed
US-8349841-B2 Vinyl-aryl derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-01-08 US disclosed
US-20120183579-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-07-19 US disclosed
US-20120040997-A9 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2012-02-16 US disclosed
US-20120040997-A9 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2012-02-16 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-20100292252-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-11-18 US disclosed
US-20100292252-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-11-18 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
WO-2009017831-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 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 (6 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 STIM1 1974/4885ORAI1 1558/4885ORAI2 1575/4885
US-20120040997-A9 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES MALT1, VCAM1, TSLP STIM1 535/4885ORAI1 2777/4885ORAI2 1450/4885
US-20100125080-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 STIM1 924/4885ORAI1 729/4885ORAI2 1267/4885
US-20120183579-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 STIM1 924/4885ORAI1 729/4885ORAI2 1267/4885
US-20100292252-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES MALT1, VCAM1, TSLP STIM1 535/4885ORAI1 2777/4885ORAI2 1450/4885
US-20110118281-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 STIM1 924/4885ORAI1 729/4885ORAI2 1267/4885

“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.