SCHEMBL2911490

SCHEMBL2911490

CC(N)CNc1nc(NCc2ccccc2)c2c(n1)c(C(C)C)nn2C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.51
CCNE1 P24864 4/20 0.51
CCNE2 O96020 3/20 0.51
CCNA2 P20248 3/20 0.51
CCNA1 P78396 2/20 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 11/20 0.45
CDK5 Q00535 7/20 0.43
ADORA3 P0DMS8 1/20 0.41
ADORA1 P30542 1/20 0.41
CSNK1D P48730 1/20 0.40
CLK2 P49760 1/20 0.40
DYRK1A Q13627 1/20 0.40
HIPK4 Q8NE63 1/20 0.40
SRPK1 Q96SB4 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
ESR1 P03372 1/20 0.40

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
SCHEMBL2910957 0.90 CDK2 (0.57) CDK2CCNE1CCNE2CCNA2CCNA1
SCHEMBL2907765 0.88 TDP1 (0.48) CDK2CCNE1CCNE2CCNA2CCNA1
SCHEMBL2911285 0.87 CDK2 (0.49) CDK2CCNE1CCNE2CCNA2CCNA1
SCHEMBL2910335 0.86 CCNE2 (0.41) CDK2CCNE1CCNE2CCNA2CCNA1
SCHEMBL2914246 0.85 CDK2 (0.39) CDK2CCNE1CCNE2CCNA2CCNA1
SCHEMBL2905169 0.84 BCDIN3D (0.45) CDK2CCNE1CCNE2CCNA2CCNA1
SCHEMBL2904935 0.83 CDK2 (0.37) CDK2CCNE1CCNE2CCNA2CCNA1
SCHEMBL2912973 0.83 CDK2 (0.38) CDK2CCNE1CCNE2CCNA2CCNA1
SCHEMBL2911086 0.82 CCNE1 (0.36) CDK2CCNE1CCNE2CCNA2CCNA1
SCHEMBL2911109 0.82 CDK2 (0.39) CDK2CCNE1CCNE2CCNA2CCNA1

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 523/4885CCNE2 747/4885

“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.