SCHEMBL3239167

SCHEMBL3239167

CC(C)c1[nH]nc2c(NCc3ccccc3)ncnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 15/20 1.00
CCNB1 P14635 14/20 1.00
CCNB2 O95067 12/20 1.00
CCNB3 Q8WWL7 12/20 1.00
CDK2 P24941 7/20 0.73
CDK5 Q00535 6/20 0.73
CCNE1 P24864 4/20 0.73
CDK5R1 Q15078 3/20 0.55
CCNT1 O60563 2/20 0.55
CDK9 P50750 2/20 0.55
CDK7 P50613 1/20 0.55
CCNH P51946 1/20 0.55
CDK4 P11802 2/20 0.53
CCNA2 P20248 2/20 0.53
CCND1 P24385 2/20 0.53
CDK6 Q00534 1/20 0.53
EGFR P00533 1/20 0.50

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
SCHEMBL3241702 0.87 CDK1 (1.00) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL3235853 0.85 CCNB2 (1.00) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL18227148 0.85 CCNE1 (1.00) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL5466495 0.85 CCNB2 (1.00) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL3264180 0.84 CCNB2 (1.00) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL3238632 0.84 CCNB2 (1.00) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL3239134 0.81 CCNB2 (1.00) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL2911502 0.80 CDK1 (0.67) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL2904692 0.79 CDK1 (0.65) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL168409 0.79 EGFR (0.68) CDK1CCNB1CCNB2CCNB3CDK2

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 1025/4885CCNB1 731/4885CCNB2 1222/4885

“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.