SCHEMBL14427431

SCHEMBL14427431

CN(C)S(=O)(=O)c1cccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3c(Br)cnn23)c1

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 20/20 0.82
▸ GSK3B P49841 13/20 0.82
▸ MAPKAPK2 P49137 2/20 0.60
▸ CDK1 P06493 3/20 0.59
▸ CHEK1 O14757 2/20 0.59
▸ CCNE1 P24864 2/20 0.46
▸ FLT3 P36888 2/20 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
SCHEMBL14427488 0.91 CDK2 (1.00) CDK2GSK3BMAPKAPK2CDK1CHEK1
SCHEMBL14427362 0.91 CDK2 (1.00) CDK2GSK3BMAPKAPK2CDK1CHEK1
SCHEMBL14427538 0.85 CDK2 (1.00) CDK2GSK3BMAPKAPK2CDK1CHEK1
SCHEMBL14427485 0.82 CDK2 (1.00) CDK2GSK3BMAPKAPK2CDK1CHEK1
SCHEMBL14427515 0.82 CDK2 (0.82) CDK2GSK3BMAPKAPK2CDK1CHEK1
SCHEMBL14427476 0.81 CDK2 (0.93) CDK2GSK3BMAPKAPK2CDK1CHEK1
SCHEMBL14427495 0.80 CDK2 (1.00) CDK2GSK3BMAPKAPK2CDK1CHEK1
SCHEMBL5451201 0.80 CDK2 (0.75) CDK2GSK3BMAPKAPK2CDK1CHEK1
SCHEMBL14427430 0.80 GSK3B (0.52) CDK2GSK3BCDK1CCNE1
SCHEMBL14427513 0.79 CDK2 (1.00) CDK2GSK3BMAPKAPK2CDK1CHEK1

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 409/4885MAPKAPK2 337/4885

“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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