SCHEMBL9864443

SCHEMBL9864443

CSc1sc(C(C)=O)cc1C#N

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 9/20 0.57
KEAP1 Q14145 1/20 0.53
NFE2L2 Q16236 1/20 0.53
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.36
USP47 Q96K76 5/20 0.35
GRIA4 P48058 2/20 0.35
PADI4 Q9UM07 1/20 0.34
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
GRIA2 P42262 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
STING1 Q86WV6 1/20 0.32

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
SCHEMBL741497 0.86 KEAP1 (0.71) USP7KEAP1NFE2L2KDM4EHSD17B10
SCHEMBL741136 0.80 KEAP1 (0.47) USP7KEAP1NFE2L2KDM4EHSD17B10
SCHEMBL742310 0.79 L3MBTL1 (0.50) USP7KEAP1NFE2L2KDM4EHSD17B10
SCHEMBL16863728 0.77 USP7 (0.47) USP7KDM4ECLK1DYRK1ADYRK1B
SCHEMBL7606077 0.74 KEAP1 (0.51) USP7KEAP1NFE2L2KDM4EHSD17B10
SCHEMBL9865352 0.72 KEAP1 (0.36) USP7KEAP1NFE2L2KDM4EHSD17B10
SCHEMBL5243459 0.72 KEAP1 (0.42) USP7KEAP1NFE2L2KDM4EHSD17B10
SCHEMBL3819530 0.72 KEAP1 (0.42) USP7KEAP1NFE2L2USP47GRIA4
SCHEMBL9864770 0.70 USP7 (0.42) USP7KDM4ECLK1DYRK1ADYRK1B
SCHEMBL9865123 0.69 KEAP1 (0.35) USP7KEAP1NFE2L2USP47GRIA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481584-B2 1H-thieno[2,3-c]pyrazole derivatives useful as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-07-09 US disclosed
US-20120165311-A1 1H-THIENO[2,3-C]PYRAZOLE DERIVATIVES USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-28 US 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 (1 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-20120165311-A1 1H-THIENO[2,3-C]PYRAZOLE DERIVATIVES USEFUL AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K3 USP7 3461/4885KEAP1 1587/4885NFE2L2 3342/4885

“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.