SCHEMBL2907796

SCHEMBL2907796

CC(C)c1nn(C(C)C)c2c(NCc3c(O)cc(Cl)cc3O)nc(NC3CCCCC3N)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 12/20 0.43
CLK2 P49760 12/20 0.43
CLK4 Q9HAZ1 12/20 0.43
CDK1 P06493 4/20 0.43
CCNB1 P14635 4/20 0.43
CLK3 P49761 1/20 0.43
CDK2 P24941 6/20 0.43
CDK4 P11802 4/20 0.43
CCNA2 P20248 4/20 0.43
CCND3 P30281 3/20 0.43
CDK5 Q00535 3/20 0.43
CCND1 P24385 2/20 0.43
CDK5R1 Q15078 2/20 0.43
CCNE1 P24864 5/20 0.40
CCNE2 O96020 3/20 0.40
CCNT1 O60563 2/20 0.40
CDK9 P50750 2/20 0.40
CCNT2 O60583 1/20 0.40
CCNA1 P78396 2/20 0.40
BCDIN3D Q7Z5W3 3/20 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
SCHEMBL2912042 0.90 CDK2 (0.44) CLK1CLK2CLK4CDK1CCNB1
SCHEMBL2945701 0.87 CDK2 (0.49) CDK1CCNB1CDK2CDK4CCNA2
SCHEMBL2912355 0.84 CDK2 (0.48) CLK1CLK2CLK4CDK1CCNB1
SCHEMBL2911054 0.84 CDK2 (0.46) CLK1CLK2CLK4CDK1CCNB1
SCHEMBL2903969 0.83 CDK2 (0.50) CLK1CLK2CLK4CDK1CCNB1
SCHEMBL2910198 0.82 BCDIN3D (0.48) CLK1CLK2CLK4CDK1CCNB1
SCHEMBL2905018 0.82 CDK2 (0.64) CLK1CLK2CLK4CDK1CCNB1
SCHEMBL3445371 0.82 CLK1 (0.48) CLK1CLK2CLK4CDK1CCNB1
SCHEMBL2911703 0.81 CLK1 (0.62) CLK1CLK2CLK4CDK1CCNB1
SCHEMBL2913377 0.81 BCDIN3D (0.35) CDK2CCNA2CDK5CDK5R1CCNE1

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.