SCHEMBL2905972

SCHEMBL2905972

COc1ccc(CNc2nc(NCc3ccc(OC)cc3)c3n[nH]c(C(C)C)c3n2)cc1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.76
CCNE1 P24864 12/20 0.76
CDK5 Q00535 12/20 0.76
CDK1 P06493 5/20 0.71
CCNB1 P14635 4/20 0.71
CCNB2 O95067 2/20 0.71
CCNB3 Q8WWL7 2/20 0.71
CDK9 P50750 3/20 0.56
CDK5R1 Q15078 3/20 0.56
CDK7 P50613 2/20 0.56
CCNT1 O60563 2/20 0.56
CCNH P51946 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CDK4 P11802 2/20 0.54
CCNA2 P20248 2/20 0.54
CCND1 P24385 2/20 0.54
CDK6 Q00534 1/20 0.54
MAPT P10636 1/20 0.51

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
SCHEMBL2914070 0.83 CDK2 (0.80) CDK2CCNE1CDK5CDK1CCNB1
SCHEMBL5466495 0.83 CCNB2 (1.00) CDK2CCNE1CDK5CDK1CCNB1
SCHEMBL2905974 0.80 MAPT (0.56) CDK2CCNE1CDK5CDK1CCNB1
SCHEMBL3718660 0.79 CDK2 (0.55) CDK2CCNE1CDK5CDK1CCNB1
SCHEMBL2910993 0.78 CDK2 (0.75) CDK2CCNE1CDK5CDK1CCNB1
SCHEMBL2912269 0.78 CDK2 (0.65) CDK2CCNE1CDK5CDK1CCNB1
SCHEMBL3725652 0.77 CDK2 (0.62) CDK2CCNE1CDK5CDK1CCNB1
SCHEMBL3720174 0.77 CDK2 (0.62) CDK2CCNE1CDK5CDK1CCNB1
SCHEMBL2910732 0.76 CDK2 (0.67) CDK2CCNE1CDK5CDK1CCNB1
SCHEMBL2913249 0.76 CDK2 (0.68) CDK2CCNE1CDK5CDK1CCNB1

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 523/4885CDK5 1638/4885

“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.