SCHEMBL14682585

SCHEMBL14682585

CS(=O)(=O)/C(C#N)=C/c1cccc(C(=O)c2c[nH]c3ncccc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NEK2 P51955 4/20 1.00
▸ DYRK1A Q13627 4/20 0.49
▸ CLK1 P49759 3/20 0.49
▸ CLK2 P49760 2/20 0.49
▸ CLK4 Q9HAZ1 2/20 0.49
▸ DYRK1B Q9Y463 2/20 0.49
▸ KIF20A O95235 2/20 0.49
▸ CDK5 Q00535 1/20 0.49
▸ CDK5R1 Q15078 1/20 0.49
▸ MAP2K1 Q02750 1/20 0.43
▸ JAK3 P52333 1/20 0.42
▸ CHEK1 O14757 1/20 0.41
▸ PLK1 P53350 1/20 0.41
▸ BTK Q06187 1/20 0.40
▸ BRD4 O60885 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ PLCG1 P19174 2/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL1907443 0.83 NEK2 (0.80) NEK2DYRK1ACLK1CLK2CLK4
SCHEMBL1907441 0.83 NEK2 (0.80) NEK2DYRK1ACLK1CLK2CLK4
SCHEMBL1906894 0.83 NEK2 (0.79) NEK2DYRK1ACLK1CLK2CLK4
SCHEMBL1906893 0.83 NEK2 (0.79) NEK2DYRK1ACLK1CLK2CLK4
SCHEMBL1907853 0.82 NEK2 (1.00) NEK2DYRK1ACLK1CLK2CLK4
SCHEMBL1907851 0.82 NEK2 (1.00) NEK2DYRK1ACLK1CLK2CLK4
SCHEMBL14682666 0.80 NEK2 (0.68) NEK2DYRK1ACLK1CLK2CLK4
SCHEMBL1907324 0.79 NEK2 (0.67) NEK2DYRK1ACLK1CLK2CLK4
SCHEMBL16450324 0.79 NEK2 (0.73) NEK2DYRK1ACLK1CLK2CLK4
SCHEMBL12675734 0.79 NEK2 (0.76) NEK2DYRK1ACLK1CLK2CLK4

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-9505766-B2 Kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-29 — — US disclosed
US-20150045343-A1 KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-12 — — US disclosed
US-20150045343-A1 KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-12 — — US disclosed
US-20130035325-A1 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-02-07 — — US disclosed
US-20130035325-A1 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-02-07 — — 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-20130035325-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K8 NEK2 79/4885DYRK1A 591/4885CLK1 331/4885
US-20150045343-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K8 NEK2 79/4885DYRK1A 591/4885CLK1 331/4885

“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.

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