SCHEMBL14418839

SCHEMBL14418839

Bc1cnn2c(NCc3cccnc3)cc(C3CCCN(C(=O)Cc4ccc5c(c4)OCO5)C3)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 5/20 0.50
▸ CHEK1 O14757 1/20 0.45
▸ HTT P42858 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ FAAH O00519 1/20 0.40
▸ CDK2 P24941 6/20 0.40
▸ CCNE1 P24864 5/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ VNN1 O95497 2/20 0.40
▸ CLK1 P49759 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ CLK3 P49761 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ DYRK1B Q9Y463 1/20 0.39
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL13288850 0.92 GSK3B (0.52) GSK3BCHEK1FAAHCDK2CCNE1
SCHEMBL13119208 0.92 GSK3B (0.62) GSK3BCDK2CCNE1
SCHEMBL14581362 0.92 GSK3B (0.50) GSK3BCHEK1HTTRECQLFAAH
SCHEMBL12954098 0.90 GSK3B (0.51) GSK3BCHEK1HTTCDK2CCNE1
SCHEMBL14043165 0.89 GSK3B (0.56) GSK3BCHEK1CDK2CCNE1KDM4E
SCHEMBL14051039 0.89 GSK3B (0.50) GSK3BCHEK1FAAHCDK2CCNE1
SCHEMBL13288618 0.89 GSK3B (0.53) GSK3BCHEK1CDK2CCNE1VNN1
SCHEMBL14607118 0.88 GSK3B (0.53) GSK3BCHEK1FAAHCDK2CCNE1
SCHEMBL14418830 0.85 GSK3B (0.51) GSK3BCHEK1CDK2CCNE1ALDH1A1
SCHEMBL13118940 0.84 GSK3B (0.65) GSK3BCDK2CCNE1

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 58/4885HTT 3567/4885

“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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