SCHEMBL2908586

SCHEMBL2908586

CC(C)c1[nH]nc2c(Nc3cccc(Cl)c3)nc(Cl)nc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.71
CDK1 P06493 2/20 0.71
CCNB1 P14635 2/20 0.71
CCNB3 Q8WWL7 2/20 0.71
YTHDF3 Q7Z739 2/20 0.47
YTHDC1 Q96MU7 2/20 0.47
YTHDF1 Q9BYJ9 2/20 0.47
YTHDF2 Q9Y5A9 2/20 0.47
PDE5A O76074 1/20 0.47
PDE9A O76083 1/20 0.47
PDE1A P54750 1/20 0.47
PDE1B Q01064 1/20 0.47
PDE1C Q14123 1/20 0.47
GRM4 Q14833 1/20 0.45
FADS1 O60427 6/20 0.45
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL3236520 0.83 CDK1 (1.00) CCNB2CDK1CCNB1CCNB3GRM4
SCHEMBL2908588 0.80 CCNB2 (0.51) CCNB2CDK1CCNB1CCNB3YTHDF3
SCHEMBL20028298 0.75 CCNB2 (0.46) CCNB2CDK1CCNB1CCNB3GRM4
SCHEMBL3444401 0.73 MEN1 (0.48) CCNB2CDK1CCNB1CCNB3PDE5A
SCHEMBL2904692 0.72 CDK1 (0.65) CCNB2CDK1CCNB1CCNB3PDE5A
SCHEMBL3001568 0.70 BRAF (0.53) CDK1GRM4FADS1MEN1KMT2A
SCHEMBL8315093 0.70 EGFR (0.50) CCNB2CDK1CCNB1CCNB3FADS1
SCHEMBL5840458 0.70 CDK5 (0.74) CCNB2CDK1CCNB1CCNB3MAPT
SCHEMBL3445808 0.70 CDK5 (0.48) CCNB2CDK1CCNB1CCNB3MAPT
SCHEMBL29444630 0.70 CDK5 (0.74) CCNB2CDK1CCNB1CCNB3MAPT

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

“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.