SCHEMBL2910995

SCHEMBL2910995

CC(C)c1n[nH]c2c(NCc3ccccc3)nc(NCCN)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.52
CCNE1 P24864 8/20 0.52
CDK5 Q00535 8/20 0.52
CCNA2 P20248 5/20 0.51
CCNE2 O96020 3/20 0.51
CCNA1 P78396 3/20 0.51
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
CDK1 P06493 6/20 0.44
CSNK1D P48730 1/20 0.44
CLK2 P49760 1/20 0.44
DYRK1A Q13627 1/20 0.44
HIPK4 Q8NE63 1/20 0.44
SRPK1 Q96SB4 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
CCNB1 P14635 4/20 0.44
CDK5R1 Q15078 3/20 0.44
CCNT1 O60563 2/20 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
SCHEMBL2910733 0.94 CDK2 (0.52) CDK2CCNE1CDK5CCNA2CCNE2
SCHEMBL3798223 0.87 CDK2 (0.53) CDK2CCNE1CDK5CCNA2CCNE2
SCHEMBL2913251 0.87 CDK1 (0.58) CDK2CCNE1CDK5CCNA2CCNE2
SCHEMBL2912272 0.87 CDK2 (0.51) CDK2CCNE1CDK5CCNA2CCNE2
SCHEMBL2912812 0.86 PPARG (0.49) CDK2CCNE1CDK5CCNA2CCNE2
SCHEMBL3720176 0.83 TACR2 (0.49) CDK2CCNE1CDK5CCNA2CCNE2
SCHEMBL3725653 0.83 CDK2 (0.46) CDK2CCNE1CDK5CCNA2CCNE2
SCHEMBL3726417 0.82 TACR2 (0.42) CDK2CCNE1CDK5CCNA2CCNE2
SCHEMBL3724956 0.82 CDK2 (0.42) CDK2CCNE1CDK5CCNA2CCNE2
SCHEMBL3719455 0.81 CDK2 (0.52) CDK2CCNE1CDK5CCNA2CCNE2

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 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.