SCHEMBL616586

SCHEMBL616586

CC1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CN(c2ncccc2C#N)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.41
MALT1 Q9UDY8 1/20 0.41
IL2 P60568 5/20 0.40
PANK3 Q9H999 1/20 0.38
KDM4E B2RXH2 2/20 0.38
RECQL P46063 1/20 0.38
STIM1 Q13586 1/20 0.37
ORAI1 Q96D31 1/20 0.37
ORAI2 Q96SN7 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GRM5 P41594 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL7922608 0.91 IL2 (0.43) TRPV1IL2STIM1ORAI1ORAI2
Hydrochloric Acid SCHEMBL614560 0.90 IL2 (0.43) TRPV1IL2STIM1ORAI1ORAI2
SCHEMBL1782159 0.89 IL2 (0.42) TRPV1IL2STIM1ORAI1ORAI2
SCHEMBL614875 0.87 IL2 (0.43) TRPV1MALT1IL2STIM1ORAI1
SCHEMBL7920820 0.87 STIM1 (0.44) TRPV1MALT1IL2STIM1ORAI1
SCHEMBL7914099 0.87 IL2 (0.41) TRPV1MALT1IL2STIM1ORAI1
Hydrochloric Acid SCHEMBL616904 0.87 STIM1 (0.44) TRPV1MALT1IL2STIM1ORAI1
SCHEMBL10101276 0.85 IL2 (0.40) TRPV1IL2STIM1ORAI1ORAI2
SCHEMBL10101255 0.85 IL2 (0.44) IL2KDM4ESTIM1ORAI1ORAI2
SCHEMBL3374258 0.85 IL2 (0.40) TRPV1IL2STIM1ORAI1ORAI2

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-20130338163-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHAMACEUTICALS CORP. (US) 2013-12-19 US disclosed
US-20130303542-A1 SUBSTITUTED PYRAZINAMIDE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2013-11-14 US disclosed
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-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
US-20100125080-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-05-20 US disclosed
EP-2185514-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2010-05-19 EP 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
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 (7 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 TRPV1 111/4885MALT1 197/4885IL2 5/4885
US-20130338163-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES MALT1, VCAM1, TSLP TRPV1 282/4885MALT1 1/4885IL2 26/4885
US-20120040997-A9 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES MALT1, VCAM1, TSLP TRPV1 282/4885MALT1 1/4885IL2 26/4885
US-20100125080-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 TRPV1 92/4885MALT1 138/4885IL2 11/4885
US-20120183579-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 TRPV1 92/4885MALT1 138/4885IL2 11/4885
US-20100292252-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES MALT1, VCAM1, TSLP TRPV1 282/4885MALT1 1/4885IL2 26/4885
US-20110118281-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 TRPV1 92/4885MALT1 138/4885IL2 11/4885

“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.