SCHEMBL8960140

SCHEMBL8960140

COC(=O)c1sc(C(=O)CC#N)cc1OC(C)c1ccccc1C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
BRAF P15056 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MKNK2 Q9HBH9 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL578058 0.89 PLK1 (0.41) MAPT
SCHEMBL577918 0.74 PLK1 (0.46) ALDH1A1MAPT
SCHEMBL8929320 0.73 PLK1 (0.41)
SCHEMBL577919 0.73 PLK1 (0.46) MAPT
SCHEMBL8929156 0.72 PLK1 (0.45) MAPT
SCHEMBL4664198 0.71 MAPT (0.40) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL12146538 0.67 CDK8 (0.47) MKNK2
SCHEMBL12422023 0.66 NPC1 (0.42) MAPTRAB9A
SCHEMBL2973598 0.66 PLK1 (0.48) MAPTKDM4ERAB9A
SCHEMBL1373718 0.66 PLK1 (0.46) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188134-B2 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20110178146-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
US-7829590-B2 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2010-11-09 US disclosed
US-20090286840-A1 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-11-19 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-20110178146-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, ABL1, MAP3K5 ALDH1A1 4111/4885MEN1 3122/4885KMT2A 784/4885
US-20090286840-A1 Thiophene-carboxamides useful as inhibitors of protein kinases MAP3K20, ABL1, MAP3K5 ALDH1A1 4111/4885MEN1 3122/4885KMT2A 784/4885

“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.