SCHEMBL2912093

SCHEMBL2912093

CCC(CO)Nc1nc(NCc2cccc(C(C)=O)c2)c2c(n1)c(C(C)C)nn2C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 13/20 0.49
CCNB1 P14635 4/20 0.49
CCNB2 O95067 2/20 0.49
CCNB3 Q8WWL7 2/20 0.49
CDK2 P24941 11/20 0.47
CDK7 P50613 7/20 0.47
CCNE1 P24864 6/20 0.47
CDK9 P50750 5/20 0.47
CDK5 Q00535 5/20 0.47
CCNH P51946 5/20 0.47
CCNT1 O60563 3/20 0.47
CDK5R1 Q15078 3/20 0.47
CCNK O75909 3/20 0.47
CDK12 Q9NYV4 3/20 0.47
CCNA2 P20248 5/20 0.46
CCNA1 P78396 5/20 0.46
CDK4 P11802 3/20 0.46
CCND1 P24385 3/20 0.46
MAPK1 P28482 3/20 0.46
CSNK1D P48730 2/20 0.46

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
SCHEMBL2911182 0.88 CDK1 (0.47) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL2913463 0.87 CDK2 (0.61) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL2914173 0.85 CDK2 (0.43) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL2914246 0.84 CDK2 (0.39) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL2912848 0.83 CDK2 (0.47) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL2913275 0.81 CDK2 (0.47) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL2912281 0.80 CDK2 (0.49) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL2910932 0.80 CDK2 (0.46) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL2907818 0.79 CDK2 (0.49) CDK1CCNB1CDK2CCNE1CDK9
SCHEMBL2910257 0.79 CDK2 (0.63) CDK1CCNB1CCNB2CCNB3CDK2

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 CDK1 1081/4885CCNB1 682/4885CCNB2 605/4885

“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.