SCHEMBL14607246

SCHEMBL14607246

Cc1cnn2c(NCc3cccnc3)cc(C3CCCN(C(=O)COc4ccccc4)C3)nc12

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 12/20 0.53
▸ CHEK1 O14757 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CDK2 P24941 3/20 0.42
▸ CCNE1 P24864 2/20 0.42
▸ MAP3K12 Q12852 1/20 0.42
▸ VNN1 O95497 1/20 0.42
▸ CCNA2 P20248 1/20 0.41
▸ CCNA1 P78396 1/20 0.41

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
SCHEMBL13119160 0.91 GSK3B (0.66) GSK3BCDK2CCNE1
SCHEMBL14301230 0.91 GSK3B (0.53) GSK3BCHEK1KDM4EALDH1A1CDK2
SCHEMBL14418651 0.90 GSK3B (0.55) GSK3BCHEK1CDK2CCNE1CCNA2
SCHEMBL14545947 0.88 GSK3B (0.56) GSK3BCHEK1CDK2CCNE1VNN1
SCHEMBL14545872 0.88 GSK3B (0.53) GSK3BCHEK1ALDH1A1CDK2CCNE1
SCHEMBL14545949 0.86 GSK3B (0.60) GSK3BCHEK1CDK2CCNE1VNN1
SCHEMBL14418650 0.86 GSK3B (0.61) GSK3BCHEK1ALDH1A1CDK2CCNE1
SCHEMBL14545952 0.85 GSK3B (0.52) GSK3BCHEK1CDK2CCNE1CCNA2
SCHEMBL12954408 0.85 GSK3B (0.51) GSK3BCHEK1CDK2CCNE1MAP3K12
SCHEMBL13289055 0.85 GSK3B (0.51) GSK3BCHEK1CDK2CCNE1VNN1

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-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-08 — — US disclosed
US-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors SCHERING CORPORATION 2007-02-15 — — 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 (2 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-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors CDK2, CDK5, CDKN1A GSK3B 937/4885CHEK1 77/4885KDM4E 462/4885
US-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A GSK3B 695/4885CHEK1 60/4885KDM4E 731/4885

“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.

Send feedback