SCHEMBL2904710

SCHEMBL2904710

CC(O)CNc1nc(NCc2c(O)cc(Cl)cc2O)c2c(n1)c(C(C)C)nn2C(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.36
CDK1 P06493 3/20 0.36
CCNE1 P24864 8/20 0.35
CDK9 P50750 5/20 0.34
FLT3 P36888 2/20 0.33
CDK5 Q00535 4/20 0.33
CDK7 P50613 3/20 0.33
CDK5R1 Q15078 3/20 0.32
CCNH P51946 2/20 0.32
CCNT1 O60563 3/20 0.32
CCNT2 O60583 1/20 0.31
CCNE2 O96020 1/20 0.31

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
SCHEMBL2913377 0.91 BCDIN3D (0.35) CDK2CCNE1CDK9CDK5CDK7
SCHEMBL2913808 0.89 CDK2 (0.35) CDK2CDK1CCNE1CDK9FLT3
SCHEMBL2907216 0.85 CDK2 (0.37) CDK2CDK1CCNE1CDK9FLT3
SCHEMBL2912435 0.81 CDK2 (0.44) CDK2CDK1CCNE1CDK9FLT3
SCHEMBL2945701 0.81 CDK2 (0.49) CDK2CDK1CCNE1CDK9CDK5
SCHEMBL2911979 0.81 CDK2 (0.39) CDK2CDK1CCNE1CDK9FLT3
SCHEMBL2912417 0.80 CCNE1 (0.33) CDK2CDK1CCNE1CDK9CDK5
SCHEMBL2910957 0.80 CDK2 (0.57) CDK2CDK1CCNE1CDK9FLT3
SCHEMBL2904941 0.80 CLK1 (0.41) CDK2CDK1CCNE1FLT3CDK5
SCHEMBL2907796 0.80 CLK1 (0.43) CDK2CDK1CCNE1CDK9CDK5

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 685/4885CDK1 1081/4885CCNE1 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.