SCHEMBL4337936

SCHEMBL4337936

[CH2]c1c(C)cc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.43
ALDH1A1 P00352 4/20 0.41
AHR P35869 2/20 0.38
TSHR P16473 4/20 0.38
CYP3A4 P08684 3/20 0.38
HSD17B10 Q99714 2/20 0.38
RECQL P46063 1/20 0.38
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
CD44 P16070 1/20 0.33
CES1 P23141 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SCN4A P35499 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
SCHEMBL10879617 0.86 TSHR (0.41) RAPGEF4ALDH1A1AHRTSHRCYP3A4
SCHEMBL901011 0.80 ALDH1A1 (0.53) ALDH1A1AHRTSHRCYP3A4HSD17B10
SCHEMBL10880511 0.79 RAPGEF4 (0.39) RAPGEF4ALDH1A1TSHRHPGDHTT
SCHEMBL1828947 0.72 RAPGEF4 (0.46) RAPGEF4ALDH1A1AHRTSHRCYP3A4
SCHEMBL29351204 0.72 ALDH1A1 (0.61) RAPGEF4ALDH1A1AHRTSHRCYP3A4
SCHEMBL180195 0.72 ALDH1A1 (0.61) RAPGEF4ALDH1A1AHRTSHRCYP3A4
SCHEMBL1505303 0.70 RAPGEF4 (0.45) RAPGEF4ALDH1A1AHRTSHRCYP3A4
SCHEMBL11273300 0.70 RAPGEF4 (0.61) RAPGEF4ALDH1A1AHRTSHRCYP3A4
SCHEMBL10834294 0.69 RAPGEF4 (0.33) RAPGEF4ALDH1A1TSHRHTTCD44
SCHEMBL183056 0.69 RAPGEF4 (0.44) RAPGEF4ALDH1A1AHRTSHRCYP3A4

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539753-B1 PYRAZOLO(3,4-B)PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2009-09-09 EP claimed
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED 2008-07-24 US claimed
US-20060089375-A1 Pyrazolo[3,4-b] pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2006-04-27 US claimed
EP-1539753-A2 PYRAZOLO(3,4-B)PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-15 EP claimed
WO-2004024728-A2 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-25 WO claimed
EP-1539753-B1 PYRAZOLO(3,4-B)PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2009-09-09 EP disclosed
US-7465743-B2 Pyrazolo[3,4-b]pyridine compounds, and their use as PDE4 inhibitors GLAXO GROUP LIMITED (GB) 2008-12-16 US disclosed
US-20080275078-A1 Pyrazolo[3,4-B] Pyridine Compounds and Their Use as Pde4 Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-06 US disclosed
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED 2008-07-24 US disclosed
US-20070167485-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as pde4 inhibitors GLAXO GROUP LIMITED (GB) 2007-07-19 US disclosed
EP-1740590-A1 PYRAZOLO [3,4- b] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2007-01-10 EP disclosed
EP-1735315-A1 PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2006-12-27 EP disclosed
WO-2005090354-A1 PYRAZOLO[3,4-b] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2005-09-29 WO disclosed
WO-2005090353-A1 PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2005-09-29 WO disclosed
US-6908919-B2 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-06-21 US disclosed
EP-1539753-A2 PYRAZOLO(3,4-B)PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-15 EP disclosed
WO-2004024728-A2 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-25 WO disclosed
US-6664255-B1 1-alkylamido-3-amino substituted; inhibiting serine proteases PHARMACIA CORPORATION 2003-12-16 US disclosed
EP-0074132-B1 PROTECTION OF CROPS AGAINST SOIL PESTS EMPLOYING AN ALKYLBENZYL CYCLOPROPANE CARBOXYLATE, NOVEL CYCLOPROPANE CARBOXYLATES, AND COMPOSITIONS CONTAINING THEM SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1986-04-30 EP disclosed
EP-0074132-A1 Protection of crops against soil pests employing an alkylbenzyl cyclopropane carboxylate, novel cyclopropane carboxylates, and compositions containing them SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1983-03-16 EP 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 (4 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-20070167485-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as pde4 inhibitors PDE3B, PDE3A, PDE4A RAPGEF4 114/4885ALDH1A1 2298/4885AHR 1268/4885
US-20080275078-A1 Pyrazolo[3,4-B] Pyridine Compounds and Their Use as Pde4 Inhibitors PDE4B, PDE3B, PDE4A RAPGEF4 555/4885ALDH1A1 1107/4885AHR 971/4885
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors PDE5A, PDE3B, PDE4A RAPGEF4 1288/4885ALDH1A1 900/4885AHR 435/4885
US-20060089375-A1 Pyrazolo[3,4-b] pyridine compounds, and their use as phosphodiesterase inhibitors PDE5A, PDE3B, PDE4A RAPGEF4 1288/4885ALDH1A1 900/4885AHR 435/4885

“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.