SCHEMBL14418927

SCHEMBL14418927

Cc1cnn2c(NCc3cccnc3)cc(C3CCCN(C(=O)c4ccc5c(c4)OCO5)C3)nc12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.51
▸ VNN1 O95497 6/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CHEK1 O14757 1/20 0.45
▸ CCNE1 P24864 2/20 0.44
▸ CDK2 P24941 2/20 0.44
▸ POLB P06746 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ PDE2A O00408 1/20 0.42
▸ GFER P55789 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
SCHEMBL12954098 0.92 GSK3B (0.51) GSK3BVNN1ALDH1A1TSHRCHEK1
SCHEMBL13119185 0.92 GSK3B (0.63) GSK3BVNN1CCNE1CDK2
SCHEMBL14581362 0.90 GSK3B (0.50) GSK3BVNN1ALDH1A1CHEK1CCNE1
SCHEMBL14545949 0.84 GSK3B (0.60) GSK3BVNN1CHEK1CCNE1CDK2
SCHEMBL13118915 0.84 GSK3B (0.66) GSK3BCCNE1CDK2
SCHEMBL14418650 0.83 GSK3B (0.61) GSK3BVNN1ALDH1A1CHEK1CCNE1
SCHEMBL12953935 0.83 GSK3B (0.52) GSK3BVNN1ALDH1A1CHEK1CCNE1
SCHEMBL14545950 0.83 GSK3B (0.53) GSK3BVNN1CHEK1CCNE1CDK2
SCHEMBL14545947 0.82 GSK3B (0.56) GSK3BVNN1CHEK1CCNE1CDK2
SCHEMBL14607246 0.81 GSK3B (0.53) GSK3BVNN1ALDH1A1CHEK1CCNE1

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 749/4885VNN1 3995/4885ALDH1A1 2518/4885

“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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