SCHEMBL1906894

SCHEMBL1906894

CN(C)C(=O)C(C#N)=Cc1cccc(C(=O)c2c[nH]c3ncccc23)c1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NEK2 P51955 3/20 0.79
▸ JAK3 P52333 10/20 0.51
▸ KIF20A O95235 1/20 0.49
▸ CLK1 P49759 1/20 0.49
▸ CLK2 P49760 1/20 0.49
▸ CDK5 Q00535 1/20 0.49
▸ DYRK1A Q13627 1/20 0.49
▸ CDK5R1 Q15078 1/20 0.49
▸ CLK4 Q9HAZ1 1/20 0.49
▸ DYRK1B Q9Y463 1/20 0.49
▸ PLK1 P53350 1/20 0.47
▸ MAP2K1 Q02750 1/20 0.43
▸ CHEK1 O14757 1/20 0.41
▸ PLCG1 P19174 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ RPS6KA5 O75582 1/20 0.39

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
SCHEMBL1906893 1.00 NEK2 (0.79) NEK2JAK3KIF20ACLK1CLK2
SCHEMBL1907443 0.89 NEK2 (0.80) NEK2JAK3KIF20ACLK1CLK2
SCHEMBL1907441 0.89 NEK2 (0.80) NEK2JAK3KIF20ACLK1CLK2
SCHEMBL1907851 0.88 NEK2 (1.00) NEK2JAK3KIF20ACLK1CLK2
SCHEMBL1907853 0.88 NEK2 (1.00) NEK2JAK3KIF20ACLK1CLK2
SCHEMBL12675996 0.86 NEK2 (0.67) NEK2JAK3KIF20ACLK1CLK2
SCHEMBL14682585 0.83 NEK2 (1.00) NEK2JAK3KIF20ACLK1CLK2
SCHEMBL14682666 0.80 NEK2 (0.68) NEK2JAK3KIF20ACLK1CLK2
SCHEMBL1907324 0.79 NEK2 (0.67) NEK2JAK3KIF20ACLK1CLK2
SCHEMBL16450324 0.79 NEK2 (0.73) NEK2KIF20ACLK1CLK2CDK5

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
EP-2558099-A2 KINASE INHIBITORS The Regents Of The University Of California, San Francisco (US) 2013-02-20 — — EP disclosed
US-20130035325-A1 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-02-07 — — US disclosed
WO-2011060440-A2 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-19 — — 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-20130035325-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K8 NEK2 79/4885JAK3 389/4885KIF20A 1148/4885
US-20150045343-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K8 NEK2 79/4885JAK3 389/4885KIF20A 1148/4885

“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.

Send feedback