SCHEMBL582469

SCHEMBL582469

COc1ccc(Cn2ncc3c(Nc4cccc(OC)c4)c(C(=O)O)cnc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.54
MAPT P10636 5/20 0.53
ALDH1A1 P00352 4/20 0.53
PKM P14618 2/20 0.53
CYP1A2 P05177 1/20 0.51
LMNA P02545 2/20 0.50
PDE5A O76074 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ADORA1 P30542 1/20 0.48
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
EGFR P00533 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
PDE4A P27815 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47

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
SCHEMBL582892 0.89 PDE4B (0.70) PDE4BMAPTALDH1A1PKMPDE5A
SCHEMBL583294 0.89 PDE4B (0.50) PDE4BMAPTALDH1A1PKMLMNA
SCHEMBL583784 0.85 ALDH1A1 (0.49) PDE4BMAPTALDH1A1PKMCYP1A2
SCHEMBL583562 0.83 MAPT (0.47) PDE4BMAPTALDH1A1PKMCYP1A2
SCHEMBL583561 0.83 MAPT (0.47) PDE4BMAPTALDH1A1PKMCYP1A2
SCHEMBL583574 0.82 PDE5A (0.61) PDE4BMAPTALDH1A1LMNAPDE5A
SCHEMBL1580149 0.80 PDE5A (0.49) PDE4BMAPTALDH1A1LMNAPDE5A
SCHEMBL2792459 0.79 ALDH1A1 (0.49) PDE4BMAPTALDH1A1PKMLMNA
SCHEMBL30644829 0.79 ALDH1A1 (0.49) PDE4BMAPTALDH1A1PKMLMNA
SCHEMBL583339 0.78 PDE4B (0.57) PDE4BPDE5AADORA1PDE4D

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 3 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-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 5/4885MAPT 2607/4885ALDH1A1 1007/4885

“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.