SCHEMBL14307164

SCHEMBL14307164

Bc1cnn2c(NCc3cccnc3)cc(C3CCCN(S(=O)(=O)c4cc(F)ccc4F)C3)nc12

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 7/20 0.51
▸ CHEK1 O14757 1/20 0.44
▸ CDK2 P24941 3/20 0.42
▸ RECQL P46063 1/20 0.41
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ NAMPT P43490 4/20 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
SCHEMBL14418705 0.93 GSK3B (0.53) GSK3BCHEK1CDK2KMT2ASMN1; SMN2
SCHEMBL13120595 0.92 GSK3B (0.64) GSK3BCDK2
SCHEMBL14545839 0.91 GSK3B (0.54) GSK3BCHEK1CDK2RECQLNAMPT
SCHEMBL14043358 0.91 GSK3B (0.53) GSK3BCHEK1CDK2KMT2ASMN1; SMN2
SCHEMBL14418706 0.89 GSK3B (0.52) GSK3BCHEK1CDK2KMT2ASMN1; SMN2
SCHEMBL14301574 0.87 GSK3B (0.51) GSK3BCHEK1CDK2KMT2ASMN1; SMN2
SCHEMBL14545843 0.87 GSK3B (0.53) GSK3BCHEK1CDK2KMT2ASMN1; SMN2
SCHEMBL14418841 0.87 GSK3B (0.53) GSK3BCHEK1CDK2KMT2ASMN1; SMN2
SCHEMBL14607248 0.87 GSK3B (0.53) GSK3BCHEK1CDK2KMT2ASMN1; SMN2
SCHEMBL14301576 0.86 GSK3B (0.52) GSK3BCHEK1CDK2KMT2ASMN1; SMN2

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-20080050384-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SHERING CORPORATION AND PHARMACOPEIA, INC. 2008-02-28 — — 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-20080050384-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A GSK3B 695/4885CHEK1 60/4885CDK2 1/4885

“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