SCHEMBL5758052

SCHEMBL5758052

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

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 6/20 0.64
GRIA2 P42262 2/20 0.60
FNTA P49354 12/20 0.50
FNTB P49356 12/20 0.50
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL10654112 0.86 GRIA4 (0.61) GRIA4GRIA2FNTAFNTBKMT2A
SCHEMBL10653103 0.78 GRIA4 (0.50) GRIA4GRIA2FNTAFNTBKMT2A
SCHEMBL3126194 0.78 GRIA4 (0.80) GRIA4GRIA2FNTAFNTBKMT2A
SCHEMBL10653341 0.77 GRIA4 (0.94) GRIA4GRIA2FNTAFNTBKMT2A
SCHEMBL3128982 0.77 FNTA (0.78) GRIA4GRIA2FNTAFNTBKDM4E
SCHEMBL16792125 0.77 GRIA4 (0.78) GRIA4GRIA2FNTAFNTBKMT2A
SCHEMBL2980278 0.76 FNTA (0.48) GRIA4GRIA2FNTAFNTBKMT2A
SCHEMBL3125313 0.75 GRIA4 (1.00) GRIA4GRIA2FNTAFNTBKMT2A
SCHEMBL9865512 0.74 GRIA4 (0.48) GRIA4GRIA2FNTAFNTBKMT2A
SCHEMBL10656067 0.74 GRIA4 (0.80) GRIA4GRIA2FNTAFNTBKMT2A

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 7 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

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 2812/4885GRIA2 2604/4885FNTA 2906/4885
US-20030096816-A1 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases LCK, MAPK1, MAP3K1 GRIA4 2812/4885GRIA2 2604/4885FNTA 2906/4885

“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.