SCHEMBL2250305

SCHEMBL2250305

CCc1nn(CC)c2nc(C)cc(Cl)c12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 15/20 0.39
CCNE1 P24864 15/20 0.39
CDK2 P24941 15/20 0.39
CDK4 P11802 11/20 0.39
CCND1 P24385 11/20 0.39
CCNB2 O95067 6/20 0.36
CDK1 P06493 6/20 0.36
CCNB1 P14635 6/20 0.36
CCNB3 Q8WWL7 6/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
BRD9 Q9H8M2 1/20 0.33
PDE5A O76074 1/20 0.33
NR1H3 Q13133 1/20 0.33

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
SCHEMBL4938911 0.80 PPARA (0.37) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL4933608 0.78 CDK4 (0.34) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL4940272 0.78 CCNE2 (0.32) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL4930597 0.78 CDK2 (0.34) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL3289678 0.74 KMT2A (0.35) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL31194557 0.73 CDK4 (0.33) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL29786728 0.70 MAPT (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL19953345 0.70 MAPT (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30406179 0.70 PDE5A (0.45) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL11358889 0.69 ADORA2A (0.40) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003663-B2 N-{[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-4-({8-[(2-hydroxyethyl)(methyl)amino]octanoyl}amino)benzamide; phosphodiesterase inhibitor; antiinflammatory, antiallergenic agent; chronic obstructive pulmonary disease (COPD), asthma, or rhinitis GLAXO GROUP LIMITED (GB) 2011-08-23 US disclosed
US-20090325952-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2009-12-31 US disclosed
US-20090326003-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2009-12-31 US disclosed
US-20090318494-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2009-12-24 US disclosed
US-7528148-B2 Pyrazolo[3,4-B]pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-05-05 US disclosed
US-20080058369-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as PDE4 inhibitors GLAXO GROUP LIMITED (GB) 2008-03-06 US disclosed
US-20060252790-A1 Pyrazolo [3,4-b] pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2006-11-09 US 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 (5 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-20090326003-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PDE4 INHIBITORS PDE4A, PDE4B, PDE12 CCNE2 4262/4885CCNE1 4284/4885CDK2 1821/4885
US-20060252790-A1 Pyrazolo [3,4-b] pyridine compounds, and their use as phosphodiesterase inhibitors PDE4A, PDE4B, PDE3B CCNE2 2825/4885CCNE1 3341/4885CDK2 1339/4885
US-20090325952-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS PDE4B, PDE4A, PDE12 CCNE2 4232/4885CCNE1 4056/4885CDK2 2109/4885
US-20080058369-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as PDE4 inhibitors PDE4A, PDE4B, PDE3B CCNE2 4556/4885CCNE1 4747/4885CDK2 3134/4885
US-20090318494-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS PDE4B, PDE4A, PDE12 CCNE2 3989/4885CCNE1 3799/4885CDK2 1790/4885

“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.