SCHEMBL986733

SCHEMBL986733

CC1=C(c2ccc(NC(=O)c3ccncc3F)cc2)CN(c2cncnc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.45
ORAI1 Q96D31 2/20 0.45
CRACR2A Q9BSW2 4/20 0.44
TRPC1 P48995 1/20 0.43
TRPC3 Q13507 1/20 0.43
ABL1 P00519 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NTRK1 P04629 1/20 0.38
PDGFRB P09619 1/20 0.38
KDR P35968 1/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
MCL1 Q07820 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
WDR5 P61964 1/20 0.37
HTT P42858 1/20 0.37
DDR1 Q08345 2/20 0.36

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
SCHEMBL8228702 0.90 PDGFRB (0.39) L3MBTL1PDGFRBKDRNPC1MAPT
SCHEMBL615223 0.84 KDM4E (0.43) STIM1ORAI1CRACR2ATRPC1TRPC3
SCHEMBL1781207 0.84 TRPV1 (0.47) STIM1ORAI1CRACR2ATRPC1TRPC3
SCHEMBL987530 0.84 TRPV1 (0.43) STIM1ORAI1CRACR2ATRPC1TRPC3
SCHEMBL14117304 0.84 STIM1 (0.48) STIM1ORAI1CRACR2ATRPC1TRPC3
SCHEMBL7916089 0.84 STIM1 (0.42) STIM1ORAI1CRACR2ATRPC1TRPC3
Hydrochloric Acid SCHEMBL3827933 0.84 TRPV1 (0.42) STIM1ORAI1CRACR2ATRPC1TRPC3
SCHEMBL1782069 0.84 STIM1 (0.42) STIM1ORAI1CRACR2ATRPC1TRPC3
SCHEMBL989393 0.84 STIM1 (0.42) STIM1ORAI1CRACR2ATRPC1TRPC3
SCHEMBL984161 0.84 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 27 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
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
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
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
EP-1984337-B1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2014-04-30 EP 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-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-1984337-A2 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP 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
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

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-20110015184-A1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES CCR10, CXCL10, CXCR3 STIM1 1607/4885ORAI1 1772/4885CRACR2A 4029/4885
US-20130303542-A1 SUBSTITUTED PYRAZINAMIDE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NLRP3, NLRP1, CXCL8 STIM1 1974/4885ORAI1 1558/4885CRACR2A 2825/4885
US-20100125080-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 STIM1 924/4885ORAI1 729/4885CRACR2A 3078/4885
US-20120183579-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 STIM1 924/4885ORAI1 729/4885CRACR2A 3078/4885
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.