SCHEMBL1907853

SCHEMBL1907853

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NEK2 P51955 6/20 1.00
▸ PLK1 P53350 1/20 0.61
▸ PLCG1 P19174 2/20 0.53
▸ JAK3 P52333 3/20 0.52
▸ RPS6KA5 O75582 1/20 0.52
▸ MAP2K4 P45985 1/20 0.52
▸ RPS6KA3 P51812 1/20 0.52
▸ MELK Q14680 1/20 0.52
▸ KIF20A O95235 1/20 0.51
▸ CLK1 P49759 1/20 0.51
▸ CLK2 P49760 1/20 0.51
▸ CDK5 Q00535 1/20 0.51
▸ DYRK1A Q13627 1/20 0.51
▸ CDK5R1 Q15078 1/20 0.51
▸ CLK4 Q9HAZ1 1/20 0.51
▸ DYRK1B Q9Y463 1/20 0.51
▸ ERBB2 P04626 2/20 0.46
▸ TEC P42680 1/20 0.46
▸ TXK P42681 1/20 0.46
▸ BLK P51451 1/20 0.46

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
SCHEMBL1907851 1.00 NEK2 (1.00) NEK2PLK1PLCG1JAK3RPS6KA5
SCHEMBL1907443 0.89 NEK2 (0.80) NEK2PLK1PLCG1JAK3RPS6KA5
SCHEMBL1907441 0.89 NEK2 (0.80) NEK2PLK1PLCG1JAK3RPS6KA5
SCHEMBL1906893 0.88 NEK2 (0.79) NEK2PLK1PLCG1JAK3RPS6KA5
SCHEMBL1906894 0.88 NEK2 (0.79) NEK2PLK1PLCG1JAK3RPS6KA5
SCHEMBL12675734 0.86 NEK2 (0.76) NEK2PLK1PLCG1JAK3KIF20A
SCHEMBL16450324 0.85 NEK2 (0.73) NEK2PLK1KIF20ACLK1CLK2
SCHEMBL14682585 0.82 NEK2 (1.00) NEK2PLK1PLCG1JAK3KIF20A
SCHEMBL14682606 0.82 NEK2 (0.69) NEK2PLK1PLCG1JAK3RPS6KA5
SCHEMBL12675990 0.82 NEK2 (0.69) NEK2PLK1KIF20ACLK1CLK2

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 79/4885PLK1 43/4885PLCG1 810/4885
US-20150045343-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K8 NEK2 79/4885PLK1 43/4885PLCG1 810/4885

“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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