SCHEMBL5756967

SCHEMBL5756967

CSc1sc(C(C)=O)c(-c2ccc(Cl)cc2)c1C#N

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 2/20 0.62
FNTA P49354 16/20 0.60
FNTB P49356 16/20 0.60
KMT2A Q03164 2/20 0.60
GRIA2 P42262 1/20 0.58
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL16792125 0.89 GRIA4 (0.78) GRIA4FNTAFNTBKMT2AGRIA2
SCHEMBL5758052 0.88 GRIA4 (0.64) GRIA4FNTAFNTBKMT2AGRIA2
SCHEMBL10652865 0.87 GRIA4 (0.60) GRIA4FNTAFNTBKMT2AGRIA2
SCHEMBL16792138 0.86 FNTA (0.82) GRIA4FNTAFNTBKMT2A
SCHEMBL16792140 0.85 GRIA4 (0.64) GRIA4FNTAFNTBKMT2AMAPT
SCHEMBL10651230 0.81 GRIA4 (0.51) GRIA4FNTAFNTBKMT2AGRIA2
SCHEMBL9865673 0.78 FNTA (0.48) GRIA4FNTAFNTBKMT2AGRIA2
SCHEMBL3126194 0.77 GRIA4 (0.80) GRIA4FNTAFNTBKMT2AGRIA2
SCHEMBL10653341 0.76 GRIA4 (0.94) GRIA4FNTAFNTBKMT2AGRIA2
SCHEMBL10652875 0.75 GRIA4 (0.74) GRIA4FNTAFNTBKMT2AGRIA2

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
EP-1389206-B1 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2006-09-13 EP disclosed
US-7084159-B2 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-08-01 US disclosed
EP-1389206-A2 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2004-02-18 EP disclosed
US-20040023963-A1 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases CAO JINGRONG (US) 2004-02-05 US disclosed
US-6642227-B2 Such as 2-methylsulfanyl-5-(2-phenylamino-pyrimidin-4-yl)-4-p-tolyl-thiophene-3 -carbonitrile; antiproliferative agents; stents VERTEX PHARMACEUTICALS INCORPORATED 2003-11-04 US disclosed
US-20030096816-A1 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2003-05-22 US disclosed
WO-2002083667-A2 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-10-24 WO disclosed
US-4994485-A Seed and soil fungi, bacteria DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1991-02-19 US disclosed
EP-0234622-B1 NEW THIO COMPOUNDS HAVING FUNGICIDAL ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1990-06-27 EP disclosed
EP-0234622-A1 New thio compounds having fungicidal activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1987-09-02 EP 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-20040023963-A1 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases LCK, MAPK1, MAP3K1 GRIA4 2812/4885FNTA 2906/4885FNTB 2422/4885
US-20030096816-A1 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases LCK, MAPK1, MAP3K1 GRIA4 2812/4885FNTA 2906/4885FNTB 2422/4885

“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.