SCHEMBL3241707

SCHEMBL3241707

CC(C)c1n[nH]c2c(NCc3ccc(O)cc3)ncnc12

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 9/20 0.65
CDK1 P06493 9/20 0.65
CCNB1 P14635 9/20 0.65
CCNB3 Q8WWL7 9/20 0.65
AURKA O14965 1/20 0.45
RPS6KB1 P23443 1/20 0.45
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CDK5 Q00535 1/20 0.43
PRMT1 Q99873 1/20 0.41
EGFR P00533 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
OXTR P30559 1/20 0.41
POLB P06746 1/20 0.39
BLM P54132 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3239170 0.87 CDK1 (0.63) CCNB2CDK1CCNB1CCNB3CCNE1
SCHEMBL3235858 0.86 CCNB2 (0.67) CCNB2CDK1CCNB1CCNB3AURKA
SCHEMBL5466498 0.85 CDK1 (0.66) CCNB2CDK1CCNB1CCNB3AURKA
SCHEMBL3242569 0.82 CCNB2 (0.70) CCNB2CDK1CCNB1CCNB3EGFR
SCHEMBL3264183 0.82 CCNB2 (0.67) CCNB2CDK1CCNB1CCNB3CCNE1
SCHEMBL18227149 0.81 CCNE1 (0.69) CDK1CCNB1CCNE1CDK2CDK5
SCHEMBL3241702 0.79 CDK1 (1.00) CCNB2CDK1CCNB1CCNB3AURKA
SCHEMBL3239140 0.78 CCNB2 (0.68) CCNB2CDK1CCNB1CCNB3AURKA
SCHEMBL3238638 0.77 CCNB2 (0.67) CCNB2CDK1CCNB1CCNB3AURKA
SCHEMBL3238350 0.76 CDK1 (0.64) CCNB2CDK1CCNB1CCNB3CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1475094-B1 Pyrazolo[4,3-D]pyrimidines, process for their preparation and methods of use USTAV EX BOTAN AKADEMIE VED CE (CZ) 2010-07-28 EP disclosed
US-20070167466-A1 \"Pyrazolo [4,3-d]pyrimidines, processes for their preparation and methods of use\ UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2007-07-19 US disclosed
WO-2004098608-A1 PYRAZOLO [4, 3-D]PYRIMIDINES, PROCESSES FOR THEIR PREPARATION AND METHODS OF USE ÚSTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2004-11-18 WO disclosed
EP-1475094-A1 Pyrazolo[4,3-D]pyrimidines, process for their preparation and methods of use Ustav Experimentalni Botaniky Akademie ved Ceské Republiky (CZ) 2004-11-10 EP 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-20070167466-A1 \"Pyrazolo [4,3-d]pyrimidines, processes for their preparation and methods of use\ CBR3, PYM1, PNPO CCNB2 1222/4885CDK1 1025/4885CCNB1 731/4885

“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.