SCHEMBL3616432

SCHEMBL3616432

O=c1ccc(-c2c(-c3ccccc3)nn3ccccc23)nn1Cc1nccs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.59
IGF1R P08069 2/20 0.45
MAPK1 P28482 5/20 0.42
PDE4B Q07343 1/20 0.38
PDE3A Q14432 1/20 0.38
MAPK14 Q16539 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK3 P27361 1/20 0.38
EGFR P00533 1/20 0.37
RAF1 P04049 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
GSK3B P49841 1/20 0.37
AKT1 P31749 1/20 0.36
POLB P06746 1/20 0.36
CNKSR1 Q969H4 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35

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
SCHEMBL7365508 0.89 ADORA1 (0.47) ADORA1IGF1RMAPK1MEN1KMT2A
SCHEMBL7304113 0.83 ADORA1 (0.68) ADORA1IGF1RMAPK1PDE4BPDE3A
SCHEMBL7291999 0.81 ADORA1 (0.63) ADORA1IGF1RMAPK1PDE4BPDE3A
SCHEMBL8446408 0.80 ADORA1 (0.59) ADORA1IGF1RMAPK1PDE4BPDE3A
SCHEMBL7488161 0.78 ADORA1 (0.57) ADORA1IGF1RMAPK1PDE4BPDE3A
SCHEMBL7299166 0.78 ADORA1 (0.77) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL8810012 0.78 ADORA1 (0.73) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7301059 0.78 ADORA1 (0.67) ADORA1IGF1RMAPK1PDE4BPDE3A
SCHEMBL7295203 0.78 ADORA1 (0.73) ADORA1IGF1RMAPK1PDE4BPDE3A
SCHEMBL19829271 0.77 ADORA1 (0.66) ADORA1IGF1RMAPK1PDE4BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040152659-A1 Method for the treatment of parkinson's disease comprising administering an A1A2a receptor dual antagonist FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-08-05 US claimed
EP-1177797-A9 NOVEL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-15 EP claimed
EP-1177797-A1 NOVEL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-06 EP claimed
US-8592420-B2 Method of treating an anxiety disorder KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-11-26 US disclosed
US-20120232089-A1 METHOD OF TREATING AN ANXIETY DISORDER KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-09-13 US disclosed
US-8202869-B2 Method of treating an anxiety disorder KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-06-19 US disclosed
US-7759355-B2 Adenosine A2A receptor antagonists for treating restless legs syndrome or nocturnal myoclonus KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-07-20 US disclosed
EP-1534289-B1 ADENOSINE A2A RECEPTOR ANTAGONISTS FOR TREATING RESTLESS LEGS SYNDROME OR NOCTURNAL MYOCLONUS KYOWA HAKKO KOGYO KK (JP) 2008-07-09 EP disclosed
US-20070149555-A1 Prophylatic and/or therapeutic agents for chronic musculoskeletal pain KYOWA HAKKO KOGYO CO., LTD (JP) 2007-06-28 US disclosed
EP-1738766-A1 PREVENTIVE AND/OR THERAPEUTIC AGENT FOR DISEASE ACCOMPANIED BY CHRONIC MUSCLE/SKELETON PAIN KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-01-03 EP disclosed
US-20060281770-A1 Method of treating an anxiety disorder KYOWA HAKKO KOGYO CO. LTD (JP) 2006-12-14 US disclosed
US-20050245545-A1 Adenosine a2s receptor antagonists for treating restless legs syndrome or related disorders KYOWA HAKKO KOGYO CO., LTD (JP) 2005-11-03 US disclosed
WO-2004108137-A1 A METHOD OF TREATING AN ANXIETY DISORDER KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-12-16 WO disclosed
US-20040152659-A1 Method for the treatment of parkinson's disease comprising administering an A1A2a receptor dual antagonist FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-08-05 US disclosed
EP-0925299-B1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO (JP) 2002-09-25 EP disclosed
EP-1177797-A9 NOVEL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-15 EP disclosed
EP-1177797-A1 NOVEL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-06 EP disclosed
US-6124456-A Pyrazolopyridine compound and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-09-26 US disclosed
EP-0925299-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-30 EP disclosed
WO-1998003507-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-29 WO 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 (5 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-20040152659-A1 Method for the treatment of parkinson's disease comprising administering an A1A2a receptor dual antagonist ADORA2A, ADORA1, ADORA2B ADORA1 2/4885IGF1R 2108/4885MAPK1 1069/4885
US-20050245545-A1 Adenosine a2s receptor antagonists for treating restless legs syndrome or related disorders ADORA2A, ADORA2B, ADORA3 ADORA1 4/4885IGF1R 3704/4885MAPK1 3198/4885
US-20120232089-A1 METHOD OF TREATING AN ANXIETY DISORDER ADORA2A, ADORA2B, ADORA3 ADORA1 4/4885IGF1R 4463/4885MAPK1 4487/4885
US-20060281770-A1 Method of treating an anxiety disorder ADORA2A, ADORA2B, ADORA3 ADORA1 4/4885IGF1R 4463/4885MAPK1 4487/4885
US-20070149555-A1 Prophylatic and/or therapeutic agents for chronic musculoskeletal pain ADORA2A, ADORA2B, ADORA3 ADORA1 5/4885IGF1R 1035/4885MAPK1 1850/4885

“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.