SCHEMBL2908579

SCHEMBL2908579

COc1cc(O)c(CNc2nc(NCC(C)O)nc3c(C(C)C)nn(C(C)C)c23)cc1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.36
CCNE1 P24864 8/20 0.36
CDK1 P06493 5/20 0.34
CDK9 P50750 5/20 0.33
CDK5 Q00535 4/20 0.33
CCNT1 O60563 3/20 0.33
CDK5R1 Q15078 3/20 0.33
CCNB2 O95067 2/20 0.33
CCNB1 P14635 2/20 0.33
CCNB3 Q8WWL7 2/20 0.33
TTK P33981 1/20 0.33
CDK7 P50613 2/20 0.33
CCNH P51946 1/20 0.33
GBA1 P04062 1/20 0.32
PDE1A P54750 3/20 0.32
PDE1B Q01064 3/20 0.32
PDE1C Q14123 3/20 0.32
BRAF P15056 1/20 0.31
CCNE2 O96020 1/20 0.31
P2RX3 P56373 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
SCHEMBL2913278 0.92 SYK (0.34) CDK2CCNE1CDK1CDK9CDK5
SCHEMBL2907216 0.87 CDK2 (0.37) CDK2CCNE1CDK1CDK9CDK5
SCHEMBL2906138 0.86 CDK2 (0.38) CDK2CCNE1CDK1CDK9CDK5
SCHEMBL2910854 0.85 CDK2 (0.45) CDK2CCNE1CDK1CDK9CCNT1
SCHEMBL2904229 0.84 CDK2 (0.48) CDK2CCNE1CDK1CDK9CDK5
SCHEMBL2913808 0.84 CDK2 (0.35) CDK2CCNE1CDK1CDK9CDK5
SCHEMBL2907713 0.82 CDK2 (0.50) CDK2CCNE1CDK1CDK9CDK5
SCHEMBL2903969 0.81 CDK2 (0.50) CDK2CCNE1CDK1CDK9CDK5
SCHEMBL3445754 0.80 CDK2 (0.41) CDK2CCNE1CDK1CDK9CDK5
SCHEMBL2904710 0.80 CDK2 (0.36) CDK2CCNE1CDK1CDK9CDK5

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-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
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 685/4885CCNE1 523/4885CDK1 1081/4885

“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.