SCHEMBL14607255

SCHEMBL14607255

Cc1cnn2c(NCCCCNS(=O)(=O)c3cc(F)cc(F)c3)cc(-c3ccccc3O)nc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.37
▸ CDK2 P24941 5/20 0.36
▸ CCNA2 P20248 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ BRAF P15056 5/20 0.34
▸ MAPK14 Q16539 3/20 0.34
▸ GPR39 O43194 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL14613381 0.91 GSK3B (0.35) GSK3BCDK2CCNA2CCNA1KDM4E
SCHEMBL14607254 0.88 RAF1 (0.37) GSK3BKDM4ENPC1RAB9AMAPT
SCHEMBL14545978 0.87 GSK3B (0.47) GSK3BCDK2CCNA2CCNA1NPC1
SCHEMBL12954486 0.86 BRAF (0.38) GSK3BKDM4ENPC1RAB9AMAPT
SCHEMBL13288967 0.80 CDK2 (0.43) GSK3BCDK2CCNA2CCNA1MAPT
SCHEMBL13121156 0.80 CDK2 (0.56) GSK3BCDK2CCNA2CCNA1
SCHEMBL13121069 0.79 CDK2 (0.56) GSK3BCDK2CCNA2CCNA1
SCHEMBL14545235 0.79 CDK2 (0.43) GSK3BCDK2CCNA2CCNA1MAPT
SCHEMBL14418710 0.78 MEN1 (0.39) GSK3BCDK2KDM4ENPC1RAB9A
SCHEMBL13289008 0.78 GSK3B (0.47) GSK3BCDK2KDM4EMAPTBRAF

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-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-08 — — 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-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A GSK3B 695/4885CDK2 1/4885CCNA2 31/4885

“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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