SCHEMBL3239170

SCHEMBL3239170

CC(C)c1n[nH]c2c(NCc3ccccc3)ncnc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 8/20 0.63
CCNB2 O95067 7/20 0.63
CCNB1 P14635 7/20 0.63
CCNB3 Q8WWL7 7/20 0.63
EGFR P00533 4/20 0.54
CDK2 P24941 3/20 0.51
LMNA P02545 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
GAA P10253 1/20 0.48
CCNE1 P24864 1/20 0.47
CDK5 Q00535 1/20 0.47
CSF1R P07333 1/20 0.47
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
RAB9A P51151 2/20 0.46

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
SCHEMBL3241707 0.87 CCNB2 (0.65) CDK1CCNB2CCNB1CCNB3EGFR
SCHEMBL3235858 0.86 CCNB2 (0.67) CDK1CCNB2CCNB1CCNB3EGFR
SCHEMBL18227149 0.85 CCNE1 (0.69) CDK1CCNB1CDK2CCNE1CDK5
SCHEMBL5466498 0.85 CDK1 (0.66) CDK1CCNB2CCNB1CCNB3EGFR
SCHEMBL3264183 0.84 CCNB2 (0.67) CDK1CCNB2CCNB1CCNB3EGFR
SCHEMBL3238638 0.84 CCNB2 (0.67) CDK1CCNB2CCNB1CCNB3EGFR
SCHEMBL3239140 0.83 CCNB2 (0.68) CDK1CCNB2CCNB1CCNB3LMNA
SCHEMBL2911505 0.81 NPY5R (0.50) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL2904694 0.80 CDK1 (0.53) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL3239167 0.77 CDK1 (1.00) CDK1CCNB2CCNB1CCNB3EGFR

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 CDK1 1025/4885CCNB2 1222/4885CCNB1 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.