SCHEMBL13288823

SCHEMBL13288823

Bc1cnn2c(NCc3cccnc3)cc(C3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)nc12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.53
▸ VNN1 O95497 7/20 0.46
▸ RBP4 P02753 1/20 0.42
▸ CHEK1 O14757 1/20 0.42
▸ MAPK8 P45983 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CCNT1 O60563 1/20 0.41
▸ CSF1R P07333 1/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ KIT P10721 1/20 0.41
▸ DDR1 Q08345 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
SCHEMBL14545254 0.92 GSK3B (0.51) GSK3BVNN1CHEK1CCNE1CDK2
SCHEMBL13118960 0.91 GSK3B (0.66) GSK3BCCNE1CDK2
SCHEMBL13289048 0.89 GSK3B (0.59) GSK3BVNN1CHEK1CCNE1CDK2
SCHEMBL14301729 0.89 GSK3B (0.55) GSK3BVNN1CHEK1CCNE1CDK2
SCHEMBL14613311 0.85 GSK3B (0.53) GSK3BCHEK1CDK2
SCHEMBL13288814 0.84 GSK3B (0.61) GSK3BCHEK1CCNE1CDK2
SCHEMBL12953848 0.84 GSK3B (0.61) GSK3BCHEK1CCNE1CDK2
SCHEMBL13305370 0.84 GSK3B (0.61) GSK3BVNN1CHEK1CCNE1CDK2
SCHEMBL13119228 0.84 GSK3B (0.63) GSK3BVNN1CCNE1CDK2
SCHEMBL13288837 0.83 GSK3B (0.57) GSK3BVNN1CHEK1CCNE1CDK2

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-2194058-A1 Pyrazolopyrimidines suitable for the treatment of cancer diseases SCHERING CORPORATION (US) 2010-06-09 — — EP disclosed
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 3995/4885RBP4 3822/4885

“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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