SCHEMBL2906253

SCHEMBL2906253

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 11/20 0.46
CLK2 P49760 11/20 0.46
CLK4 Q9HAZ1 11/20 0.46
CDK1 P06493 4/20 0.46
CCNB1 P14635 3/20 0.46
CLK3 P49761 1/20 0.46
CDK4 P11802 3/20 0.45
CCND3 P30281 2/20 0.45
SYK P43405 7/20 0.42
MAPK3 P27361 1/20 0.42
MAPK1 P28482 1/20 0.42
KCNH2 Q12809 1/20 0.42
AURKB Q96GD4 1/20 0.42
CCNA2 P20248 1/20 0.42
CCND1 P24385 1/20 0.42
CDK2 P24941 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42

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
SCHEMBL2914018 0.93 CLK1 (0.49) CLK1CLK2CLK4CDK1CCNB1
SCHEMBL2910495 0.93 CDK1 (0.44) CLK1CLK2CLK4CDK1CCNB1
SCHEMBL2905962 0.93 CLK1 (0.49) CLK1CLK2CLK4CDK1CCNB1
SCHEMBL2908725 0.90 CLK1 (0.53) CLK1CLK2CLK4CDK1CCNB1
SCHEMBL2914190 0.89 CLK1 (0.48) CLK1CLK2CLK4CDK1CCNB1
SCHEMBL2937905 0.89 CLK1 (0.48) CLK1CLK2CLK4CDK1CCNB1
SCHEMBL2911703 0.87 CLK1 (0.62) CLK1CLK2CLK4CDK1CCNB1
SCHEMBL2907202 0.86 CDK2 (0.44) CLK1CLK2CLK4CDK1CCNB1
SCHEMBL2911888 0.86 CLK2 (0.63) CLK1CLK2CLK4CDK1CCNB1
SCHEMBL2912622 0.85 FLT3 (0.50) CDK1CCNB1CDK4CCNA2CCND1

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 CLK1 4615/4885CLK2 4009/4885CLK4 4645/4885

“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.