SCHEMBL2910495

SCHEMBL2910495

CC(C)c1nn(C(C)C)c2c(Nc3ccc(Br)cc3)nc(NC3CCCCC3N)nc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 4/20 0.44
CLK1 P49759 11/20 0.44
CLK2 P49760 11/20 0.44
CLK4 Q9HAZ1 11/20 0.44
CCNB1 P14635 3/20 0.44
CDK4 P11802 3/20 0.44
CCND3 P30281 2/20 0.44
FLT3 P36888 1/20 0.43
CLK3 P49761 1/20 0.43
SYK P43405 6/20 0.42
MAPK3 P27361 1/20 0.41
MAPK1 P28482 1/20 0.41
KCNH2 Q12809 1/20 0.41
AURKB Q96GD4 1/20 0.41
CCNA2 P20248 1/20 0.41
CCND1 P24385 1/20 0.41
CDK2 P24941 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 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
SCHEMBL2906253 0.93 CLK1 (0.46) CDK1CLK1CLK2CLK4CCNB1
SCHEMBL2914018 0.91 CLK1 (0.49) CDK1CLK1CLK2CLK4CCNB1
SCHEMBL2905962 0.91 CLK1 (0.49) CDK1CLK1CLK2CLK4CCNB1
SCHEMBL2908725 0.86 CLK1 (0.53) CDK1CLK1CLK2CLK4CCNB1
SCHEMBL2937905 0.85 CLK1 (0.48) CDK1CLK1CLK2CLK4CCNB1
SCHEMBL2914190 0.85 CLK1 (0.48) CDK1CLK1CLK2CLK4CCNB1
SCHEMBL2905616 0.85 FLT3 (0.60) CDK1CCNB1CDK4FLT3CCNA2
SCHEMBL2911888 0.84 CLK2 (0.63) CDK1CLK1CLK2CLK4CCNB1
SCHEMBL2911703 0.84 CLK1 (0.62) CDK1CLK1CLK2CLK4CCNB1
SCHEMBL2907202 0.83 CDK2 (0.44) CDK1CLK1CLK2CLK4CCNB1

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 1081/4885CLK1 4615/4885CLK2 4009/4885

“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.