SCHEMBL2913189

SCHEMBL2913189

CC[C@H](CO)Nc1nc(NCc2ccccc2)c2[nH]nc(C(C)C)c2n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.70
CDK5 Q00535 8/20 0.70
CCNE1 P24864 7/20 0.70
CDK7 P50613 5/20 0.70
CDK9 P50750 5/20 0.70
CCNT1 O60563 3/20 0.70
CCNH P51946 3/20 0.70
CDK5R1 Q15078 3/20 0.70
CDK1 P06493 10/20 0.62
CCNA2 P20248 5/20 0.60
CCNA1 P78396 5/20 0.60
CCNE2 O96020 3/20 0.60
CCNK O75909 3/20 0.60
CDK12 Q9NYV4 3/20 0.60
CSNK1D P48730 2/20 0.60
CLK2 P49760 2/20 0.60
CSNK1G2 P78368 2/20 0.60
DYRK1A Q13627 2/20 0.60
CLK4 Q9HAZ1 2/20 0.60
CSNK1G1 Q9HCP0 2/20 0.60

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
SCHEMBL2913009 0.86 CDK2 (0.53) CDK2CDK5CCNE1CDK7CDK9
SCHEMBL2907514 0.85 CDK2 (0.50) CDK2CDK5CCNE1CDK7CDK9
SCHEMBL2913185 0.82 CDK2 (1.00) CDK2CDK5CCNE1CDK7CDK9
SCHEMBL2913193 0.82 CDK2 (1.00) CDK2CDK5CCNE1CDK7CDK9
SCHEMBL2913251 0.81 CDK1 (0.58) CDK2CDK5CCNE1CDK7CDK9
SCHEMBL2913463 0.79 CDK2 (0.61) CDK2CDK5CCNE1CDK7CDK9
SCHEMBL3444040 0.79 CDK2 (0.61) CDK2CDK5CCNE1CDK7CDK9
SCHEMBL2910995 0.79 CDK2 (0.52) CDK2CDK5CCNE1CDK7CDK9
SCHEMBL2912272 0.79 CDK2 (0.51) CDK2CDK5CCNE1CDK7CDK9
SCHEMBL2912812 0.78 PPARG (0.49) CDK2CDK5CCNE1CDK7CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1348707-B1 Pyrazolo[4,3-d]pyrimidines, processes for their preparation and methods for therapy USTAV EX BOTAN AV CR V V I I O (CZ) 2010-08-25 EP disclosed
US-7745450-B2 Pyrazolo[4,3-d]pyrimidines, processes for their preparation and methods for therapy INSTITUTE OF EXPERIMENTAL BOTANY (CZ) 2010-06-29 US disclosed
US-20050080097-A1 Pyrazolo[4,3-D]pyrimidines, processes for their preparation and methods for therapy USTAV EXPERIMENTALNI BOTANIKY AV CR (INSTITUTE OF EXPERIMENTAL BOTANY ACADEMY OF 2005-04-14 US disclosed
WO-2003082872-A1 NOVEL PYRAZOLO[4,3-D]PYRIMIDINES, PROCESSES FOR THEIR PREPARATION AND METHODS FOR THERAPY USTAV EXPERIMENTALNI BOTANIKY AV CR (INSTITUTE OF EXPERIMENTAL BOTANY ACADEMY OF SCIENCES OF THE CZECH REPUBLIC) (CZ) 2003-10-09 WO disclosed
EP-1348707-A1 Pyrazolo[4,3-d]pyrimidines, processes for their preparation and methods for therapy Ustav Experimentalni Botaniky AV CR (Institute of Experimental Botany Academy of Sciences of the Czech Republic) (CZ) 2003-10-01 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-20050080097-A1 Pyrazolo[4,3-D]pyrimidines, processes for their preparation and methods for therapy CBR3, DHFR, AKR1C3 CDK2 685/4885CDK5 1638/4885CCNE1 523/4885

“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.