SCHEMBL583463

SCHEMBL583463

COc1ccc(Cn2ncc3c(NC4CCCCC4)c(C=NO)cnc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.45
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
JAK3 P52333 2/20 0.40
TYK2 P29597 1/20 0.40
CNR2 P34972 1/20 0.40
ADORA1 P30542 1/20 0.40
PDE5A O76074 2/20 0.39
ROCK2 O75116 1/20 0.39
SHMT2 P34897 1/20 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
SCHEMBL583462 1.00 PDE4B (0.45) PDE4BLMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL583242 0.91 PDE4B (0.54) PDE4B
SCHEMBL583243 0.91 PDE4B (0.54) PDE4B
SCHEMBL582731 0.88 PDE4B (0.47) PDE4BLMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL583339 0.83 PDE4B (0.57) PDE4BJAK2JAK1JAK3TYK2
SCHEMBL582653 0.82 PDE4B (0.60) PDE4B
SCHEMBL582654 0.82 PDE4B (0.60) PDE4B
SCHEMBL583013 0.81 PDE4B (0.60) PDE4B
SCHEMBL1471895 0.81 PDE4B (0.60) PDE4B
SCHEMBL583304 0.80 PDE4B (0.54) PDE4BJAK2JAK1JAK3TYK2

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 5/4885LMNA 4852/4885ALDH1A1 1007/4885
US-20110130403-A1 PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE3B, PDE4B PDE4B 3/4885LMNA 4822/4885ALDH1A1 895/4885

“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.