SCHEMBL9929453

SCHEMBL9929453

C/N=C\c1c(N)ncnc1N(C)C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 2/20 0.35
▸ AURKA O14965 2/20 0.35
▸ NUDT1 P36639 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ CHEK2 O96017 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ MARK3 P27448 1/20 0.33
▸ RPS6KA3 P51812 1/20 0.33
▸ PRKCD Q05655 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ MARK2 Q7KZI7 1/20 0.33
▸ RET P07949 1/20 0.32
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL9929454 1.00 CHEK1 (0.35) CHEK1AURKANUDT1PDPK1CHEK2
SCHEMBL17073884 0.74 EGFR (0.36) RET
SCHEMBL2316376 0.70 CHEK1 (0.42) CHEK1AURKANUDT1PDPK1CHEK2
SCHEMBL8856393 0.67 CHEK1 (0.47) CHEK1AURKANUDT1PDPK1CHEK2
SCHEMBL13893537 0.67 CHEK1 (0.37) CHEK1AURKANUDT1PDPK1CHEK2
SCHEMBL13701448 0.64 CHEK1 (0.39) CHEK1AURKANUDT1PDPK1CHEK2
SCHEMBL25593925 0.64 NOS3 (0.41) CHEK1AURKANUDT1PDPK1CHEK2
SCHEMBL13829723 0.63 LRRK2 (0.50) CHEK1AURKALRRK2CYP1A2CYP2D6
SCHEMBL5559244 0.62 NUDT1 (0.44) CHEK1AURKANUDT1LRRK2RET
SCHEMBL1094886 0.62 RET (0.42) LRRK2RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367825-B2 Substituted pyrimidinyl oxime kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-05 — — US disclosed
US-20120157412-A1 Substituted Pyrimidinyl Oxime Kinase Inhibitors BATTISTA KATHLEEN A (US) 2012-06-21 — — 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 (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-20120157412-A1 Substituted Pyrimidinyl Oxime Kinase Inhibitors MAP3K2, MAP3K1, MAP3K20 CHEK1 119/4885AURKA 766/4885NUDT1 1048/4885

“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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