SCHEMBL14307166

SCHEMBL14307166

Bc1cnn2c(NCc3cccnc3)cc(C3CCN(S(=O)(=O)c4ccc(Cc5ccccc5)cc4)CC3)nc12

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 8/20 0.56
▸ NAMPT P43490 3/20 0.49
▸ CHEK1 O14757 1/20 0.44
▸ CDK2 P24941 2/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PKM P14618 1/20 0.42

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
SCHEMBL13289097 0.95 GSK3B (0.59) GSK3BNAMPTCHEK1CDK2CCNE1
SCHEMBL13288870 0.94 GSK3B (0.56) GSK3BNAMPTCHEK1CDK2CCNE1
SCHEMBL12954475 0.93 GSK3B (0.58) GSK3BNAMPTCHEK1LMNACYP3A4
SCHEMBL12954082 0.92 GSK3B (0.53) GSK3BNAMPTCHEK1CDK2CCNE1
SCHEMBL14545841 0.92 GSK3B (0.56) GSK3BNAMPTCHEK1LMNACYP3A4
SCHEMBL14581275 0.91 GSK3B (0.70) GSK3BCDK2CCNE1
SCHEMBL14418829 0.91 GSK3B (0.56) GSK3BNAMPTCHEK1CDK2CCNE1
SCHEMBL14418840 0.90 GSK3B (0.53) GSK3BNAMPTCHEK1CDK2LMNA
SCHEMBL14607249 0.90 GSK3B (0.55) GSK3BNAMPTCHEK1CDK2LMNA
SCHEMBL13289101 0.88 GSK3B (0.56) GSK3BNAMPTCHEK1CDK2CCNE1

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 695/4885NAMPT 579/4885CHEK1 60/4885

“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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