SCHEMBL2906436

SCHEMBL2906436

CC(O)CNc1nc(Nc2cccc(Cl)c2)c2c(n1)c(C(C)C)nn2C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 8/20 0.47
CCNB1 P14635 3/20 0.47
EIF2AK2 P19525 1/20 0.47
GSK3B P49841 1/20 0.47
MERTK Q12866 1/20 0.47
KDM4E B2RXH2 5/20 0.45
CDK5 Q00535 4/20 0.45
CDK5R1 Q15078 4/20 0.45
MAPK1 P28482 3/20 0.45
MAPT P10636 4/20 0.41
CCNB2 O95067 2/20 0.41
CCNB3 Q8WWL7 2/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 2/20 0.41
PAK4 O96013 1/20 0.41

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
SCHEMBL2912745 0.91 CDK1 (0.44) CDK1CCNB1EIF2AK2GSK3BMERTK
SCHEMBL2906126 0.90 FLT3 (0.39) CDK1CCNB1EIF2AK2GSK3BMERTK
SCHEMBL2904159 0.88 FLT3 (0.50) CDK1KDM4ECDK5CDK5R1MEN1
SCHEMBL2912981 0.88 FLT3 (0.45) CDK1CDK5MAPTTP53CCNE1
SCHEMBL2904941 0.87 CLK1 (0.41) CDK1CCNB1EIF2AK2GSK3BMERTK
SCHEMBL2909973 0.85 FLT3 (0.40) CDK1CCNB1EIF2AK2GSK3BMERTK
SCHEMBL2913552 0.85 FLT3 (0.40) CDK1CCNB1EIF2AK2GSK3BMERTK
SCHEMBL2910855 0.83 FLT3 (0.46) CDK1CDK5CCNE1CDK2FLT3
SCHEMBL2913273 0.83 CDK1 (0.45) CDK1CCNB1KDM4ECDK5CDK5R1
SCHEMBL2912537 0.83 CDK1 (0.45) CDK1CCNB1KDM4ECDK5CDK5R1

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 CDK1 1081/4885CCNB1 682/4885EIF2AK2 1859/4885

“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.