SCHEMBL2907917

SCHEMBL2907917

CC(O)CNc1nc(Nc2ccc(Br)cc2)c2c(n1)c(C(C)C)nn2C(C)C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 7/20 0.57
CDK2 P24941 6/20 0.40
CCNE1 P24864 4/20 0.40
CCNE2 O96020 2/20 0.40
CDK1 P06493 4/20 0.38
CDK9 P50750 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL2910855 0.91 FLT3 (0.46) FLT3CDK2CCNE1CDK1CDK9
SCHEMBL2904159 0.90 FLT3 (0.50) FLT3CDK2CCNE1CDK1KDM4E
SCHEMBL2912867 0.90 FLT3 (0.46) FLT3CDK2CCNE1CCNE2CDK1
SCHEMBL2912981 0.90 FLT3 (0.45) FLT3CDK2CCNE1CDK1CDK9
SCHEMBL2906126 0.83 FLT3 (0.39) FLT3CDK2CCNE1CDK1CDK9
SCHEMBL2909973 0.83 FLT3 (0.40) FLT3CDK2CCNE1CDK1KDM4E
SCHEMBL2913552 0.83 FLT3 (0.40) FLT3CDK2CCNE1CCNE2CDK1
SCHEMBL2906436 0.82 CDK1 (0.47) FLT3CDK2CCNE1CCNE2CDK1
SCHEMBL2908028 0.81 CDK1 (0.44) FLT3CDK2CCNE1CCNE2CDK1
SCHEMBL2912137 0.81 FLT3 (0.36) FLT3CDK2CCNE1CCNE2MAPK1

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 FLT3 179/4885CDK2 685/4885CCNE1 523/4885

“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.