SCHEMBL2912281

SCHEMBL2912281

CC(=O)c1cccc(CNc2nc(NC3CCC(N)CC3)nc3c(C(C)C)nn(C(C)C)c23)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.49
CCNE1 P24864 19/20 0.49
CCNA2 P20248 16/20 0.49
CCNE2 O96020 16/20 0.49
CCNA1 P78396 15/20 0.49
CDK5 Q00535 2/20 0.48
CDK1 P06493 2/20 0.48
CDK4 P11802 2/20 0.48
CCNB1 P14635 2/20 0.48
CCND1 P24385 2/20 0.48
CCNT1 O60563 1/20 0.48
CDK9 P50750 1/20 0.48
CDK6 Q00534 1/20 0.48
CDK5R1 Q15078 1/20 0.48
CCNB2 O95067 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42

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
SCHEMBL2914001 0.89 CDK2 (0.46) CDK2CCNE1CCNA2CCNE2CCNA1
SCHEMBL2907818 0.88 CDK2 (0.49) CDK2CCNE1CCNA2CCNE2CCNA1
SCHEMBL2912634 0.87 CDK2 (0.62) CDK2CCNE1CCNA2CCNE2CCNA1
SCHEMBL2912806 0.84 CDK2 (0.46) CDK2CCNE1CCNA2CCNE2CCNA1
SCHEMBL2914246 0.84 CDK2 (0.39) CDK2CCNE1CCNA2CCNE2CCNA1
SCHEMBL2914173 0.83 CDK2 (0.43) CDK2CCNE1CDK5CDK1CCNB1
SCHEMBL2913424 0.82 CDK2 (0.47) CDK2CCNE1CCNA2CCNE2CCNA1
SCHEMBL2908612 0.81 CDK2 (0.48) CDK2CCNE1CCNA2CCNE2CCNA1
SCHEMBL2912241 0.80 CDK2 (0.52) CDK2CCNE1CCNA2CCNE2CCNA1
SCHEMBL2912093 0.80 CDK1 (0.49) CDK2CCNE1CCNA2CCNE2CCNA1

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 685/4885CCNE1 523/4885CCNA2 767/4885

“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.