SCHEMBL986981

SCHEMBL986981

CC1=C(c2ccc(NC(=O)c3ncncc3C)cc2)CN(c2nccs2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.44
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.38
CYP3A4 P08684 2/20 0.37
PORCN Q9H237 1/20 0.37
HPGD P15428 1/20 0.36
ADORA2A P29274 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC6A7 Q99884 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
ROCK2 O75116 1/20 0.34
LIMK1 P53667 1/20 0.34
NTRK1 P04629 1/20 0.34
MTOR P42345 2/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
LRRK2 Q5S007 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DNM1L O00429 1/20 0.33
KDR P35968 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
SCHEMBL3824523 0.90 TRPV1 (0.41) TRPV1HTTHSD17B10CYP3A4PORCN
SCHEMBL14093304 0.87 TRPV1 (0.39) TRPV1CYP3A4PORCNMTORL3MBTL1
SCHEMBL989336 0.86 TRPV1 (0.44) TRPV1HTTHSD17B10CYP3A4PORCN
SCHEMBL15654193 0.85 TRPV1 (0.38) TRPV1HTTHSD17B10CYP3A4PORCN
SCHEMBL1781583 0.84 RAB9A (0.47) TRPV1HTTHSD17B10CYP3A4HPGD
SCHEMBL3826237 0.83 CYP3A4 (0.53) TRPV1HSD17B10CYP3A4HPGDADORA2A
SCHEMBL3829813 0.83 TRPV1 (0.44) TRPV1HTTHSD17B10CYP3A4PORCN
Hydrochloric Acid SCHEMBL3828415 0.82 TRPV1 (0.44) TRPV1HTTHSD17B10CYP3A4PORCN
SCHEMBL987530 0.81 TRPV1 (0.43) TRPV1HTTHSD17B10CYP3A4HPGD
SCHEMBL986115 0.81 LRRK2 (0.34) HPGDNTRK1MTORRAF1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015184-A1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-01-20 US 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
US-20110015184-A1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-01-20 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
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
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 (3 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 TRPV1 156/4885HTT 4401/4885HSD17B10 1947/4885
US-20140248299-A1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES CCR10, CXCL10, CXCR3 TRPV1 156/4885HTT 4401/4885HSD17B10 1947/4885
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 TRPV1 542/4885HTT 4397/4885HSD17B10 4373/4885

“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.