SCHEMBL2913273

SCHEMBL2913273

CC(O)CNc1nc(Nc2ccc(Cl)c(C(=O)O)c2)c2c(n1)c(C(C)C)nn2C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 5/20 0.45
CDK5 Q00535 3/20 0.45
CDK5R1 Q15078 3/20 0.45
FLT3 P36888 4/20 0.38
KDM4E B2RXH2 2/20 0.38
CDK2 P24941 2/20 0.38
CCNB2 O95067 1/20 0.38
CCNE2 O96020 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NTRK1 P04629 1/20 0.38
INSR P06213 1/20 0.38
CCNB1 P14635 1/20 0.38
PRKACA P17612 1/20 0.38
CCNA2 P20248 1/20 0.38
PRKACG P22612 1/20 0.38
PRKACB P22694 1/20 0.38
CCNE1 P24864 1/20 0.38
MAPK3 P27361 1/20 0.38
CCNA1 P78396 1/20 0.38
NTRK2 Q16620 1/20 0.38

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
SCHEMBL2912537 0.93 CDK1 (0.45) CDK1CDK5CDK5R1FLT3KDM4E
SCHEMBL2911201 0.92 CDK1 (0.44) CDK1CDK5CDK5R1KDM4ECDK2
SCHEMBL2908028 0.90 CDK1 (0.44) CDK1CDK5CDK5R1FLT3KDM4E
SCHEMBL2909973 0.87 FLT3 (0.40) CDK1CDK5CDK5R1FLT3KDM4E
SCHEMBL2908568 0.85 CDK5 (0.44) CDK1CDK5CDK5R1KDM4ECDK2
SCHEMBL2913552 0.85 FLT3 (0.40) CDK1CDK5CDK5R1FLT3KDM4E
SCHEMBL2904159 0.84 FLT3 (0.50) CDK1CDK5CDK5R1FLT3KDM4E
SCHEMBL2911194 0.84 CDK5 (0.51) CDK1CDK5CDK5R1KDM4ECDK2
SCHEMBL2906436 0.83 CDK1 (0.47) CDK1CDK5CDK5R1FLT3KDM4E
SCHEMBL2914039 0.83 CDK1 (0.44) CDK1CDK5CDK5R1KDM4ECDK2

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 1081/4885CDK5 1638/4885CDK5R1 1099/4885

“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.