SCHEMBL14427358

SCHEMBL14427358

CC(C)c1cnn2c(Nc3ccc(S(C)(=O)=O)cc3)cc(Cl)nc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 14/20 0.68
▸ GSK3B P49841 9/20 0.68
▸ CDK1 P06493 3/20 0.41
▸ CDK9 P50750 2/20 0.41
▸ CCNB2 O95067 2/20 0.41
▸ CCNB1 P14635 2/20 0.41
▸ CDK5 Q00535 2/20 0.41
▸ CDK5R1 Q15078 2/20 0.41
▸ CCNB3 Q8WWL7 2/20 0.41
▸ CCNT1 O60563 1/20 0.41
▸ CCNE2 O96020 1/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ RIPK2 O43353 1/20 0.37
▸ ACVR1 Q04771 1/20 0.37
▸ NOD2 Q9HC29 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL14427364 0.90 CDK2 (0.56) CDK2GSK3BCDK1CDK9CCNB2
SCHEMBL13985880 0.89 CDK2 (0.56) CDK2GSK3BCDK9CCNE1KDM4E
SCHEMBL12143269 0.88 CDK2 (0.70) CDK2GSK3BCDK1CDK9
SCHEMBL14427421 0.86 CDK2 (0.55) CDK2GSK3BCDK9KDM4EMEN1
SCHEMBL5448114 0.86 CDK2 (0.52) CDK2GSK3BCDK1CDK9CCNB1
SCHEMBL14427360 0.86 CDK2 (0.52) CDK2GSK3BCCNE1MAPT
SCHEMBL14427390 0.85 CDK2 (0.67) CDK2GSK3BCDK1CDK9CCNB1
SCHEMBL13885062 0.84 GSK3B (0.71) CDK2GSK3BCDK1CDK9CCNB2
SCHEMBL14427377 0.84 GSK3B (0.54) CDK2GSK3BCDK1CDK9CCNB2
SCHEMBL14427370 0.84 CDK2 (0.53) CDK2GSK3BCDK9KDM4EMEN1

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-20070179161-A1 Pyrazolopyrimidine compounds and their use in medicine VERNALIS (CAMBRIDGE) LIMITED. (GB) 2007-08-02 — — US disclosed
US-20070179161-A1 Pyrazolopyrimidine compounds and their use in medicine VERNALIS (CAMBRIDGE) LIMITED. (GB) 2007-08-02 — — 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-20070179161-A1 Pyrazolopyrimidine compounds and their use in medicine ROS1, ALK, NOX1 CDK2 228/4885GSK3B 409/4885CDK1 142/4885

“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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