SCHEMBL14650590

SCHEMBL14650590

Cc1[nH]nc(Nc2ccnc(Nc3ccc(F)c(S(=O)(=O)C(C)C)c3)n2)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 2/20 0.43
▸ CDK4 P11802 1/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ GRM4 Q14833 1/20 0.43
▸ KDR P35968 3/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ RIPK2 O43353 4/20 0.39
▸ KCNH2 Q12809 3/20 0.39
▸ AURKA O14965 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ HIPK2 Q9H2X6 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ PLK1 P53350 1/20 0.38

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
SCHEMBL14650748 0.90 GRM4 (0.53) CDK2CDK4CCNE1GRM4KDR
Trifluoroacetic Acid SCHEMBL14634685 0.84 GRM4 (0.46) CDK2CDK4CCNE1GRM4KDR
SCHEMBL14650714 0.82 BTK (0.48) CDK2KDRBRD4RIPK2KCNH2
SCHEMBL14650511 0.81 BTK (0.43) CDK2KDRBRD4RIPK2KCNH2
SCHEMBL14634664 0.81 BTK (0.57) CDK2CDK4CCNE1KDRBRD4
SCHEMBL14650318 0.81 AURKA (0.47) CDK2GRM4KDRBRD4AURKA
Hydrochloric Acid SCHEMBL14634848 0.78 BTK (0.47) CDK2CDK4CCNE1KDRBRD4
SCHEMBL14633980 0.78 BTK (0.43) CDK2CDK4CCNE1KDRBRD4
SCHEMBL14650715 0.77 BTK (0.44) KDRBRD4RIPK2KCNH2BTK
SCHEMBL12335153 0.77 GRM4 (0.48) CDK2CDK4CCNE1GRM4KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 — — 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-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 CDK2 1/4885CDK4 63/4885CCNE1 203/4885

“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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