SCHEMBL581945

SCHEMBL581945

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

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.49
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
LRRK2 Q5S007 1/20 0.34
PDE5A O76074 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
SCHEMBL582473 0.91 PDE4B (0.49) PDE4B
SCHEMBL583252 0.86 PDE4B (0.48) PDE4B
SCHEMBL582190 0.86 PDE4B (0.48) PDE4B
SCHEMBL583099 0.85 PDE4B (0.46) PDE4BJAK2JAK1LRRK2
SCHEMBL582884 0.85 PDE4B (0.48) PDE4B
SCHEMBL581944 0.84 PDE4B (0.51) PDE4B
SCHEMBL582723 0.83 PDE4B (0.43) PDE4BJAK2JAK1
SCHEMBL583272 0.83 PDE4B (0.46) PDE4B
Hydrochloric Acid SCHEMBL582429 0.82 PDE4B (0.46) PDE4B
SCHEMBL583232 0.82 PDE4B (0.43) PDE4BJAK2JAK1

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.