SCHEMBL583311

SCHEMBL583311

CON(C)C(=O)c1cnc2[nH]ncc2c1NC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.53
JAK3 P52333 5/20 0.51
CCNB2 O95067 1/20 0.43
CCNE2 O96020 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
HPGDS O60760 1/20 0.42
BRD4 O60885 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
BRD2 P25440 1/20 0.40
BRD3 Q15059 1/20 0.40
FLT3 P36888 1/20 0.39
MELK Q14680 2/20 0.39
JAK1 P23458 7/20 0.38
JAK2 O60674 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
SCHEMBL4340262 0.82 PDE4B (0.54) PDE4BJAK3CCNB2CCNE2CDK1
SCHEMBL8340716 0.81 PDE4B (0.54) PDE4BJAK3CCNB2CCNE2CDK1
SCHEMBL4345837 0.80 PDE4B (0.80) PDE4BJAK3JAK1
SCHEMBL4348883 0.78 PDE4B (0.82) PDE4BJAK3JAK1
SCHEMBL4791268 0.77 JAK3 (0.41) PDE4BJAK3CCNB2CCNE2CDK1
SCHEMBL4791270 0.77 PDE4B (0.45) PDE4BJAK3CCNB2CCNE2CDK1
SCHEMBL582494 0.77 PDE4B (0.72) PDE4B
SCHEMBL582847 0.75 PDE4B (0.71) PDE4B
SCHEMBL582597 0.75 CCNE2 (0.47) PDE4BJAK3CCNB2CCNE2CDK1
SCHEMBL583304 0.73 PDE4B (0.54) PDE4BJAK3JAK1JAK2

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
US-8420666-B2 Pyrazolo (3, 4-B) pyridine derivatives as phosphodiesterase inhibitors RANBAXY LABORATORIES LIMITED (IN) 2013-04-16 US disclosed
EP-2124944-B1 Pyrazolo[3,4-b]pyridine derivatives as phosphodiesterase inhibitors RANBAXY LAB LTD (IN) 2012-02-15 EP disclosed
US-20110130403-A1 PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-06-02 US disclosed
US-20100292196-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-11-18 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 (2 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-20100292196-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS PDE3B, PDE4A, PDE3A PDE4B 5/4885JAK3 192/4885CCNB2 4041/4885
US-20110130403-A1 PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE3B, PDE4B PDE4B 3/4885JAK3 223/4885CCNB2 4113/4885

“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.