SCHEMBL14418841

SCHEMBL14418841

Bc1cnn2c(NCc3cccnc3)cc(C3CCCN(S(=O)(=O)c4cccc5ccccc45)C3)nc12

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 9/20 0.53
▸ CHEK1 O14757 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ CDK2 P24941 3/20 0.40
▸ NAMPT P43490 2/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL13120593 0.92 GSK3B (0.64) GSK3BCDK2CCNE1
SCHEMBL14418705 0.91 GSK3B (0.53) GSK3BCHEK1SMN1; SMN2KMT2ACDK2
SCHEMBL14545843 0.91 GSK3B (0.53) GSK3BCHEK1SMN1; SMN2KMT2ACDK2
SCHEMBL14607248 0.91 GSK3B (0.53) GSK3BCHEK1SMN1; SMN2KMT2ACDK2
SCHEMBL13289108 0.91 GSK3B (0.56) GSK3BCHEK1CDK2NAMPTCCNE1
SCHEMBL14301576 0.91 GSK3B (0.52) GSK3BCHEK1SMN1; SMN2KMT2ACDK2
SCHEMBL14301575 0.88 GSK3B (0.53) GSK3BCHEK1SMN1; SMN2KMT2ACDK2
SCHEMBL14301590 0.87 GSK3B (0.55) GSK3BCHEK1SMN1; SMN2KMT2ANAMPT
SCHEMBL14307164 0.87 GSK3B (0.51) GSK3BCHEK1SMN1; SMN2KMT2ACDK2
SCHEMBL14301574 0.87 GSK3B (0.51) GSK3BCHEK1SMN1; SMN2KMT2ACDK2

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-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-09-27 — — 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-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 GSK3B 749/4885CHEK1 58/4885SMN1; SMN2 2284/4885

“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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