SCHEMBL10101318

SCHEMBL10101318

O=C(Nc1ccc(-c2cnccc2Cl)cc1)c1c(F)cccc1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 5/20 0.62
JAK1 P23458 4/20 0.62
JAK2 O60674 3/20 0.62
HTT P42858 1/20 0.62
NOD2 Q9HC29 1/20 0.62
IL2 P60568 4/20 0.61
LMNA P02545 1/20 0.58
CYP3A4 P08684 2/20 0.51
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
MAPK7 Q13164 1/20 0.47
TLR8 Q9NR97 1/20 0.46
TNF P01375 1/20 0.46
STIM1 Q13586 1/20 0.46
ORAI1 Q96D31 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL2886125 0.85 IL2 (0.52) TYK2JAK1JAK2HTTNOD2
SCHEMBL987314 0.85 JAK2 (0.62) TYK2JAK1JAK2HTTNOD2
SCHEMBL8193723 0.85 TYK2 (0.62) TYK2JAK1JAK2HTTNOD2
SCHEMBL15456644 0.83 IL2 (0.67) TYK2JAK1JAK2HTTNOD2
SCHEMBL8227240 0.82 JAK2 (0.58) TYK2JAK1JAK2HTTNOD2
SCHEMBL1825939 0.81 IL2 (0.76) TYK2JAK1JAK2HTTNOD2
SCHEMBL10101287 0.78 JAK2 (0.53) TYK2JAK1JAK2HTTNOD2
SCHEMBL13067923 0.78 TYK2 (0.48) TYK2JAK1JAK2HTTNOD2
SCHEMBL8124406 0.78 TYK2 (1.00) TYK2JAK1JAK2HTTNOD2
SCHEMBL12988970 0.78 IL2 (0.71) TYK2JAK1JAK2HTTNOD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349841-B2 Vinyl-aryl derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-01-08 US 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-20120040997-A9 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2012-02-16 US disclosed
US-20100292252-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-11-18 US disclosed
US-20100292252-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-11-18 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 (2 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-20120040997-A9 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES MALT1, VCAM1, TSLP TYK2 317/4885JAK1 1331/4885JAK2 771/4885
US-20100292252-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES MALT1, VCAM1, TSLP TYK2 317/4885JAK1 1331/4885JAK2 771/4885

“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.