SCHEMBL3234802

SCHEMBL3234802

CCCCCNc1ncnc2c(C(C)C)n[nH]c12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 5/20 0.63
CDK1 P06493 5/20 0.63
CCNB1 P14635 5/20 0.63
CCNB3 Q8WWL7 5/20 0.63
SMN1; SMN2 Q16637 5/20 0.42
LMNA P02545 5/20 0.42
NPSR1 Q6W5P4 2/20 0.42
S1PR2 O95136 1/20 0.42
ALDH1A1 P00352 6/20 0.41
HTT P42858 5/20 0.41
KDM4E B2RXH2 5/20 0.41
MAPT P10636 3/20 0.41
HSD17B10 Q99714 4/20 0.39
TSHR P16473 3/20 0.39
MAPK1 P28482 3/20 0.39
TP53 P04637 2/20 0.39
HPGD P15428 2/20 0.37
NR2F2 P24468 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL2808798 0.82 CCNB2 (0.56) CCNB2CDK1CCNB1CCNB3SMN1; SMN2
SCHEMBL11829828 0.81 CCNB2 (0.55) CCNB2CDK1CCNB1CCNB3SMN1; SMN2
SCHEMBL11830093 0.81 CCNB2 (0.55) CCNB2CDK1CCNB1CCNB3SMN1; SMN2
SCHEMBL11834544 0.81 CCNB2 (0.55) CCNB2CDK1CCNB1CCNB3SMN1; SMN2
SCHEMBL11841747 0.78 CCNB2 (0.51) CCNB2CDK1CCNB1CCNB3SMN1; SMN2
SCHEMBL3234796 0.77 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3SMN1; SMN2
SCHEMBL3239170 0.76 CDK1 (0.63) CCNB2CDK1CCNB1CCNB3LMNA
SCHEMBL3238350 0.75 CDK1 (0.64) CCNB2CDK1CCNB1CCNB3SMN1; SMN2
SCHEMBL3241707 0.74 CCNB2 (0.65) CCNB2CDK1CCNB1CCNB3KDM4E
SCHEMBL3239140 0.73 CCNB2 (0.68) CCNB2CDK1CCNB1CCNB3SMN1; SMN2

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.