SCHEMBL986197

SCHEMBL986197

CC1=C(c2ccc(NC(=O)c3ccncc3C)cc2)CNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.42
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
STIM1 Q13586 1/20 0.37
ORAI1 Q96D31 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
CYP11B2 P19099 1/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
UBE2N P61088 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
KDM4E B2RXH2 2/20 0.35
STAT1 P42224 1/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL3554294 0.89 STIM1 (0.49) LMNAL3MBTL1STIM1ORAI1ALDH1A1
SCHEMBL984631 0.78 TYK2 (0.40) TYK2LMNAL3MBTL1STIM1ORAI1
SCHEMBL984629 0.78 TYK2 (0.40) TYK2LMNAL3MBTL1STIM1ORAI1
SCHEMBL984423 0.77 STIM1 (0.55) TYK2LMNAL3MBTL1STIM1ORAI1
SCHEMBL987299 0.76 TYK2 (0.39) TYK2LMNAL3MBTL1STIM1ORAI1
SCHEMBL987652 0.76 LMNA (0.41) TYK2LMNAL3MBTL1STIM1ORAI1
SCHEMBL986996 0.76 TYK2 (0.39) TYK2LMNAL3MBTL1STIM1ORAI1
SCHEMBL985976 0.76 TYK2 (0.39) TYK2LMNAL3MBTL1STIM1ORAI1
SCHEMBL985977 0.76 TYK2 (0.39) TYK2LMNAL3MBTL1STIM1ORAI1
SCHEMBL987577 0.75 NAMPT (0.39) TYK2LMNAL3MBTL1ALDH1A1POLB

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 32 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-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-8349841-B2 Vinyl-aryl derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-01-08 US 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
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 TYK2 784/4885LMNA 3822/4885L3MBTL1 1338/4885
US-20080207641-A1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CCR3, CCR9 TYK2 451/4885LMNA 2588/4885L3MBTL1 1538/4885
US-20140248299-A1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES CCR10, CXCL10, CXCR3 TYK2 784/4885LMNA 3822/4885L3MBTL1 1338/4885
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 TYK2 801/4885LMNA 2795/4885L3MBTL1 937/4885

“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.