SCHEMBL2913863

SCHEMBL2913863

COc1ccc(CNc2nc(NCc3ccc(OC)cc3)c3c(n2)c(C(C)C)nn3C(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
CCNE1 P24864 6/20 0.48
CDK2 P24941 6/20 0.48
CCNE2 O96020 5/20 0.48
CDK1 P06493 2/20 0.46
CDK5 Q00535 3/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
CCNB2 O95067 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45
PDE2A O00408 1/20 0.45
CDK5R1 Q15078 2/20 0.45
MAPT P10636 1/20 0.45
PDE1A P54750 1/20 0.44
PDE1B Q01064 1/20 0.44
PDE1C Q14123 1/20 0.44

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
SCHEMBL2907765 0.93 TDP1 (0.48) TDP1CCNE1CDK2CCNE2CDK1
SCHEMBL2904803 0.93 CDK2 (0.50) TDP1CCNE1CDK2CCNE2CDK1
SCHEMBL2912241 0.86 CDK2 (0.52) CCNE1CDK2CCNE2CDK1CDK5
SCHEMBL2911490 0.80 CDK2 (0.51) TDP1CCNE1CDK2CCNE2CDK1
SCHEMBL2910957 0.80 CDK2 (0.57) TDP1CCNE1CDK2CCNE2CDK1
SCHEMBL2913808 0.77 CDK2 (0.35) TDP1CCNE1CDK2CCNE2CDK1
SCHEMBL2905974 0.76 MAPT (0.56) TDP1CCNE1CDK2CCNE2CDK1
SCHEMBL2913463 0.74 CDK2 (0.61) CCNE1CDK2CCNE2CDK1CDK5
SCHEMBL2905169 0.74 BCDIN3D (0.45) CCNE1CDK2CCNE2CDK5MAPT
SCHEMBL2911859 0.74 CDK2 (0.42) CCNE1CDK2CCNE2CDK1CDK5

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 TDP1 2367/4885CCNE1 523/4885CDK2 685/4885

“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.