SCHEMBL987057

SCHEMBL987057

CC1=C(c2ccc(NC(=O)c3ccncc3C)cc2)CN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.41
CYP2C9 P11712 3/20 0.41
GRIN2B Q13224 3/20 0.41
CYP3A4 P08684 2/20 0.41
LRRK2 Q5S007 3/20 0.41
ENPP2 Q13822 1/20 0.41
FLT3 P36888 1/20 0.40
POLB P06746 1/20 0.39
PTPN11 Q06124 1/20 0.39
TMEM97 Q5BJF2 3/20 0.38
SIGMAR1 Q99720 3/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
MAP3K5 Q99683 2/20 0.38
GRM5 P41594 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL987687 0.90 MAPT (0.41) POLBPTPN11RAB9A
SCHEMBL987652 0.86 LMNA (0.41)
SCHEMBL8232807 0.86 ERN1 (0.41) POLBPTPN11MAP3K5
SCHEMBL10104881 0.85 MAPT (0.40) POLBPTPN11RAB9AHSD17B10
SCHEMBL8233137 0.78 ALDH1A1 (0.41) CYP2D6POLBPTPN11RAB9A
SCHEMBL986122 0.78 STIM1 (0.43) MAP3K5RAB9A
SCHEMBL986498 0.78 STIM1 (0.50) RAB9A
SCHEMBL984783 0.77 ALDH1A1 (0.46) POLBHSD17B10
SCHEMBL987577 0.77 NAMPT (0.39) POLB
SCHEMBL8235476 0.76 ALDH1A1 (0.44) RAB9AHSD17B10

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 22 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
EP-1984337-A2 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP 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-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-8349841-B2 Vinyl-aryl derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-01-08 US disclosed
US-20120040997-A9 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2012-02-16 US disclosed
US-20110015184-A1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-01-20 US disclosed
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 disclosed
EP-1984337-A2 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP disclosed
US-20080207641-A1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-08-28 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 (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-20110015184-A1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES CCR10, CXCL10, CXCR3 CYP2D6 249/4885CYP2C9 324/4885GRIN2B 4470/4885
US-20080207641-A1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CCR3, CCR9 CYP2D6 154/4885CYP2C9 132/4885GRIN2B 4263/4885
US-20120040997-A9 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES MALT1, VCAM1, TSLP CYP2D6 925/4885CYP2C9 776/4885GRIN2B 3314/4885
US-20140248299-A1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES CCR10, CXCL10, CXCR3 CYP2D6 249/4885CYP2C9 324/4885GRIN2B 4470/4885
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 CYP2D6 45/4885CYP2C9 959/4885GRIN2B 4207/4885

“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.