SCHEMBL986115

SCHEMBL986115

CC1=C(c2ccc(NC(=O)c3ncncc3C)cc2)CN(c2nc(C)c(C)o2)CC1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
DGAT1 O75907 2/20 0.33
NTRK1 P04629 1/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
MTOR P42345 1/20 0.33
RPTOR Q8N122 1/20 0.33
MLST8 Q9BVC4 1/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
KDR P35968 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL15655057 0.86 MTOR (0.31) DGAT1MTORRPTORMLST8MAPT
SCHEMBL5019720 0.81 HPGD (0.35) HPGDSMN1; SMN2NTRK1RAF1BRAF
SCHEMBL986981 0.81 TRPV1 (0.44) LRRK2HPGDNTRK1RAF1BRAF
SCHEMBL986963 0.79 IL2 (0.44) HPGDSMN1; SMN2MAPTKDM4ETP53
SCHEMBL984709 0.77 HPGD (0.42) HPGDSMN1; SMN2NTRK1MAPTKDM4E
SCHEMBL8232016 0.74 CYP1A2 (0.36) HPGDSMN1; SMN2DGAT1RAF1BRAF
SCHEMBL3561027 0.73 PIK3R1 (0.33) MTOR
SCHEMBL8234885 0.72 NPC1 (0.43) HPGDSMN1; SMN2MAPTKDM4EGAA
SCHEMBL3824523 0.71 TRPV1 (0.41) LRRK2HPGDSMN1; SMN2NTRK1RAF1
SCHEMBL8228702 0.71 PDGFRB (0.39) HPGDSMN1; SMN2RAF1BRAFMAPT

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 9 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

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 LRRK2 2770/4885HPGD 1758/4885SMN1; SMN2 4774/4885
US-20140248299-A1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES CCR10, CXCL10, CXCR3 LRRK2 2770/4885HPGD 1758/4885SMN1; SMN2 4774/4885
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 LRRK2 4247/4885HPGD 2543/4885SMN1; SMN2 3048/4885

“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.