SCHEMBL13304684

SCHEMBL13304684

Bc1cnn2c(NCc3ccc4[nH]cnc4c3)cc(C3CCCCC3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.49
▸ CHEK1 O14757 6/20 0.40
▸ CDK2 P24941 5/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CCNA1 P78396 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.35
▸ CDK5 Q00535 2/20 0.33
▸ CDK1 P06493 2/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ CCNE1 P24864 3/20 0.33
▸ BCDIN3D Q7Z5W3 1/20 0.33
▸ CDK7 P50613 2/20 0.32
▸ CCNH P51946 2/20 0.32
▸ MNAT1 P51948 2/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ GPR39 O43194 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31

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
SCHEMBL13146206 0.92 GSK3B (0.51) GSK3BCHEK1CDK2CCNA2CCNA1
SCHEMBL12953011 0.89 GSK3B (0.63) GSK3BCHEK1CDK2CCNA2CCNA1
SCHEMBL13305061 0.85 GSK3B (0.49) GSK3BCHEK1CDK2CCNA2CCNA1
SCHEMBL12952905 0.81 GSK3B (0.65) GSK3BCHEK1CDK2CCNA2CCNA1
SCHEMBL13304928 0.81 GSK3B (0.51) GSK3BCHEK1CDK2CCNA2CCNA1
SCHEMBL13146493 0.81 GSK3B (0.52) GSK3BCHEK1CDK2CCNA2CCNA1
SCHEMBL13305036 0.81 GSK3B (0.55) GSK3BCHEK1CDK2CCNA2CCNA1
SCHEMBL14412770 0.80 GSK3B (0.67) GSK3BCHEK1CDK2CCNA2CCNA1
SCHEMBL13304821 0.79 GSK3B (0.53) GSK3BCHEK1CDK2CCNA2CCNA1
SCHEMBL13146196 0.78 GSK3B (0.55) GSK3BCDK2CCNA2CCNA1CCNE1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537116-B1 PYRAZOLOPYRIMIDINES SUITABLE FOR THE TREATMENT OF CANCER DISEASES SCHERING CORP (US) 2010-06-02 — — EP disclosed
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.

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