SCHEMBL2911932

SCHEMBL2911932

CC(C)c1nn(C(C)C)c2c(Nc3cccc(Cl)c3)nc(NC3CCC(N)CC3)nc12

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 7/20 0.62
CCNE1 P24864 9/20 0.56
CDK2 P24941 9/20 0.56
PDGFRA P16234 8/20 0.56
PRKCA P17252 2/20 0.56
PAK4 O96013 1/20 0.48
CLK1 P49759 4/20 0.46
CLK2 P49760 4/20 0.46
CLK4 Q9HAZ1 4/20 0.46
CDK4 P11802 1/20 0.46
CCNB1 P14635 1/20 0.46
CCND3 P30281 1/20 0.46
EGFR P00533 1/20 0.45
CCNE2 O96020 1/20 0.45
CCNA2 P20248 1/20 0.45
CCNA1 P78396 1/20 0.45

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
SCHEMBL2913588 0.92 CDK1 (0.51) CDK1CCNE1CDK2PDGFRAPRKCA
SCHEMBL2911647 0.89 CDK1 (0.49) CDK1CCNE1CDK2PDGFRAPRKCA
SCHEMBL2913634 0.89 CCNE1 (0.54) CDK1CCNE1CDK2PDGFRAPRKCA
SCHEMBL2910969 0.89 CDK2 (0.52) CDK1CCNE1CDK2PDGFRACDK4
SCHEMBL2913832 0.87 CDK1 (0.47) CDK1CCNE1CDK2PDGFRAPRKCA
SCHEMBL2911665 0.87 CDK1 (0.47) CDK1CCNE1CDK2PDGFRAPRKCA
SCHEMBL2911888 0.86 CLK2 (0.63) CDK1CCNE1CDK2PRKCACLK1
SCHEMBL2912622 0.85 FLT3 (0.50) CDK1CCNE1CDK2PDGFRACDK4
SCHEMBL2905616 0.84 FLT3 (0.60) CDK1CCNE1CDK2PDGFRACDK4
SCHEMBL2912961 0.83 CDK1 (0.44) CDK1CCNE1CDK2PDGFRAPRKCA

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 CDK1 1081/4885CCNE1 523/4885CDK2 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.