SCHEMBL2912706

SCHEMBL2912706

CCC(CO)Nc1nc(Nc2ccc(Br)cc2)c2c(n1)c(C(C)C)nn2C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 17/20 0.46
CDK5R1 Q15078 16/20 0.46
CDK2 P24941 16/20 0.46
CCNA2 P20248 14/20 0.46
CCNA1 P78396 13/20 0.46
DYRK1A Q13627 13/20 0.46
CDK1 P06493 3/20 0.44
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
KCNH3 Q9ULD8 1/20 0.40
CCNE1 P24864 3/20 0.39
CCNT1 O60563 2/20 0.39
CDK7 P50613 2/20 0.39
CDK9 P50750 2/20 0.39
CCNH P51946 2/20 0.39
CSNK1A1 P48729 2/20 0.38
CCNB1 P14635 1/20 0.38
MNAT1 P51948 1/20 0.38

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
SCHEMBL2905816 0.91 CDK2 (0.47) CDK5CDK5R1CDK2CCNA2CCNA1
SCHEMBL2910560 0.90 CDK5 (0.47) CDK5CDK5R1CDK2CCNA2CCNA1
SCHEMBL2904646 0.90 KCNH3 (0.48) CDK5CDK5R1CDK2CCNA2CCNA1
SCHEMBL2911734 0.84 CDK5 (0.49) CDK5CDK5R1CDK2CCNA2CCNA1
SCHEMBL2911349 0.84 CDK5 (0.46) CDK5CDK5R1CDK2CCNA2CCNA1
SCHEMBL2908150 0.84 CDK5 (0.46) CDK5CDK5R1CDK2CCNA2CCNA1
SCHEMBL2912316 0.83 CDK5 (0.62) CDK5CDK5R1CDK2CCNA2CCNA1
SCHEMBL2910098 0.82 CDK1 (0.50) CDK5CDK5R1CDK2CCNA2CCNA1
SCHEMBL2911194 0.82 CDK5 (0.51) CDK5CDK5R1CDK2CCNA2CCNA1
SCHEMBL2910283 0.82 CDK5 (0.51) CDK5CDK5R1CDK2CCNA2CCNA1

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 CDK5 1638/4885CDK5R1 1099/4885CDK2 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.