SCHEMBL2912272

SCHEMBL2912272

CC(N)CNc1nc(NCc2ccccc2)c2[nH]nc(C(C)C)c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.51
CCNE1 P24864 7/20 0.51
CCNA2 P20248 3/20 0.51
CCNE2 O96020 1/20 0.51
CCNA1 P78396 1/20 0.51
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CDK1 P06493 8/20 0.44
CDK5 Q00535 9/20 0.44
CDK5R1 Q15078 3/20 0.44
CDK9 P50750 3/20 0.44
CCNB1 P14635 3/20 0.44
CCNT1 O60563 2/20 0.44
CDK4 P11802 2/20 0.44
CCND1 P24385 2/20 0.44
CDK6 Q00534 1/20 0.44
CDK7 P50613 2/20 0.43
CCNH P51946 1/20 0.43

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
SCHEMBL2910995 0.87 CDK2 (0.52) CDK2CCNE1CCNA2CCNE2CCNA1
SCHEMBL2910733 0.85 CDK2 (0.52) CDK2CCNE1CCNA2CCNE2CCNA1
SCHEMBL2913251 0.83 CDK1 (0.58) CDK2CCNE1CCNA2CCNE2CCNA1
SCHEMBL2912812 0.82 PPARG (0.49) CDK2CCNE1CCNA2CCNE2CCNA1
SCHEMBL2911505 0.81 NPY5R (0.50) CDK2CCNE1KDM4EMAPTNPC1
SCHEMBL2912269 0.81 CDK2 (0.65) CDK2CCNE1CCNA2CCNE2CCNA1
SCHEMBL2904694 0.80 CDK1 (0.53) CDK2CCNE1CCNA2KDM4EMAPT
SCHEMBL2913765 0.79 CDK2 (0.71) CDK2CCNE1CCNA2CCNE2CCNA1
SCHEMBL2913189 0.79 CDK2 (0.70) CDK2CCNE1CCNA2CCNE2CCNA1
SCHEMBL3445243 0.79 CDK2 (0.49) CDK2CCNE1CCNA2CCNE2CCNA1

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 523/4885CCNA2 767/4885

“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.