SCHEMBL583099

SCHEMBL583099

CCn1ncc2c(Nc3ccccc3)c(C3=NOC4(CCN(S(=O)(=O)CC)CC4)C3)cnc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.46
JAK2 O60674 3/20 0.37
JAK1 P23458 3/20 0.37
PDE7A Q13946 1/20 0.36
POLB P06746 1/20 0.32
WEE1 P30291 1/20 0.32
LRRK2 Q5S007 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL582723 0.91 PDE4B (0.43) PDE4BJAK2JAK1PDE7A
SCHEMBL582190 0.89 PDE4B (0.48) PDE4BPDE7AALDH1A1
SCHEMBL583252 0.89 PDE4B (0.48) PDE4BPDE7A
SCHEMBL582884 0.88 PDE4B (0.48) PDE4BPDE7A
SCHEMBL582473 0.87 PDE4B (0.49) PDE4BPDE7AMEN1KMT2A
SCHEMBL583272 0.86 PDE4B (0.46) PDE4BPDE7AALDH1A1
SCHEMBL581945 0.85 PDE4B (0.49) PDE4BJAK2JAK1LRRK2
Hydrochloric Acid SCHEMBL582429 0.85 PDE4B (0.46) PDE4BPDE7AMEN1ALDH1A1KMT2A
SCHEMBL583232 0.85 PDE4B (0.43) PDE4BJAK2JAK1PDE7A
SCHEMBL582254 0.85 PDE4B (0.48) PDE4BPDE7A

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 6 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 claimed
EP-2124944-B1 Pyrazolo[3,4-b]pyridine derivatives as phosphodiesterase inhibitors RANBAXY LAB LTD (IN) 2012-02-15 EP claimed
US-20100292196-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-11-18 US claimed
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-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 (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-20100292196-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS PDE3B, PDE4A, PDE3A PDE4B 5/4885JAK2 1043/4885JAK1 249/4885

“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.