SCHEMBL987007

SCHEMBL987007

CC1=C(c2ccc(NC(=O)c3ccncc3F)cc2)CN(c2nnnn2C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.42
ORAI1 Q96D31 2/20 0.42
CRACR2A Q9BSW2 4/20 0.39
TRPC1 P48995 1/20 0.38
TRPC3 Q13507 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
ABL1 P00519 1/20 0.36
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
KCNJ8 Q15842 1/20 0.35
CSNK1D P48730 2/20 0.34
CSNK1E P49674 2/20 0.34
LRRK2 Q5S007 1/20 0.34
HTT P42858 1/20 0.34
GRM5 P41594 1/20 0.34
CHRNA7 P36544 2/20 0.34
KCNH2 Q12809 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
WDR5 P61964 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
SCHEMBL986998 0.84 STIM1 (0.42) STIM1ORAI1CRACR2ATRPC1TRPC3
SCHEMBL988247 0.84 IL2 (0.43) STIM1ORAI1ABCC9ABCC8KCNJ11
SCHEMBL984161 0.83 STIM1 (0.42) STIM1ORAI1CRACR2ATRPC1TRPC3
SCHEMBL986733 0.83 STIM1 (0.45) STIM1ORAI1CRACR2ATRPC1TRPC3
SCHEMBL615223 0.81 KDM4E (0.43) STIM1ORAI1CRACR2ATRPC1TRPC3
SCHEMBL1781207 0.81 TRPV1 (0.47) STIM1ORAI1CRACR2ATRPC1TRPC3
SCHEMBL987530 0.81 TRPV1 (0.43) STIM1ORAI1CRACR2ATRPC1TRPC3
SCHEMBL14117304 0.81 STIM1 (0.48) STIM1ORAI1CRACR2ATRPC1TRPC3
SCHEMBL1782069 0.80 STIM1 (0.42) STIM1ORAI1CRACR2ATRPC1TRPC3
SCHEMBL7916089 0.80 STIM1 (0.42) STIM1ORAI1CRACR2ATRPC1TRPC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140248299-A1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-09-04 US claimed
US-8729069-B2 Tetrahydropyridine, tetrahydroazepine, and dihydropyrrole derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-05-20 US claimed
EP-1984337-B1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2014-04-30 EP claimed
EP-2086326-B1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2014-01-08 EP claimed
US-20110015184-A1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-01-20 US claimed
US-7816535-B2 such as N-[4-(1,4-dimethyl-1,2,5,6-tetrahydro-pyridin-3-yl)-phenyl]-2,6-difluoro-benzamide; immunosuppressive agents; allergic disorders, and immune disorders SYNTA PHARMACEUTICALS CORP. (US) 2010-10-19 US claimed
EP-2086326-A2 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2009-08-12 EP claimed
EP-1984337-A2 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP claimed
US-20080207641-A1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-08-28 US claimed
WO-2008063504-A2 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-05-29 WO claimed
US-20070249051-A1 such as N-[4-(1,4-dimethyl-1,2,5,6-tetrahydro-pyridin-3-yl)-phenyl]-2,6-difluoro-benzamide; immunosuppressive agents; allergic disorders, and immune disorders SYNTA PHARMACEUTICALS CORP. 2007-10-25 US claimed
WO-2007087443-A2 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO claimed
US-20140248299-A1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-09-04 US disclosed
US-20140248299-A1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-09-04 US disclosed
US-8729069-B2 Tetrahydropyridine, tetrahydroazepine, and dihydropyrrole derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-05-20 US disclosed
US-8729069-B2 Tetrahydropyridine, tetrahydroazepine, and dihydropyrrole derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-05-20 US disclosed
US-20070249051-A1 such as N-[4-(1,4-dimethyl-1,2,5,6-tetrahydro-pyridin-3-yl)-phenyl]-2,6-difluoro-benzamide; immunosuppressive agents; allergic disorders, and immune disorders SYNTA PHARMACEUTICALS CORP. 2007-10-25 US disclosed
US-20070249051-A1 such as N-[4-(1,4-dimethyl-1,2,5,6-tetrahydro-pyridin-3-yl)-phenyl]-2,6-difluoro-benzamide; immunosuppressive agents; allergic disorders, and immune disorders SYNTA PHARMACEUTICALS CORP. 2007-10-25 US disclosed
WO-2007087443-A2 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO disclosed
WO-2007087443-A2 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 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 (4 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-20110015184-A1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES CCR10, CXCL10, CXCR3 STIM1 1607/4885ORAI1 1772/4885CRACR2A 4029/4885
US-20080207641-A1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CCR3, CCR9 STIM1 1766/4885ORAI1 1400/4885CRACR2A 3440/4885
US-20140248299-A1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES CCR10, CXCL10, CXCR3 STIM1 1607/4885ORAI1 1772/4885CRACR2A 4029/4885
US-20070249051-A1 such as N-[4-(1,4-dimethyl-1,2,5,6-tetrahydro-pyridin-3-yl)-phenyl]-2,6-difluoro-benzamide; immunosuppressive agents; allergic disorders, and immune disorders IL4, IL5, IL2 STIM1 1396/4885ORAI1 1537/4885CRACR2A 4301/4885

“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.