SCHEMBL5499236

SCHEMBL5499236

O=c1ccc(-c2c(-c3ccccc3)nn3ccccc23)nn1CCc1nnn[nH]1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.62
IGF1R P08069 2/20 0.48
MAPK1 P28482 6/20 0.43
MAPK14 Q16539 2/20 0.43
MAPK3 P27361 1/20 0.43
MET P08581 1/20 0.37
AKT1 P31749 1/20 0.35
PDE3A Q14432 2/20 0.34
PDE5A O76074 1/20 0.34
KDM4E B2RXH2 2/20 0.34
EGFR P00533 1/20 0.34
RAF1 P04049 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
GSK3B P49841 1/20 0.34
HTT P42858 1/20 0.34
PDE4B Q07343 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
SCHEMBL7301958 0.94 ADORA1 (0.66) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7303349 0.94 ADORA1 (0.65) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7301517 0.93 ADORA1 (0.64) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7292830 0.93 ADORA1 (0.64) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7303029 0.93 ADORA1 (0.64) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7301555 0.93 ADORA1 (0.64) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7292724 0.93 ADORA1 (0.64) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7300326 0.93 ADORA1 (0.64) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7290142 0.93 ADORA1 (0.64) ADORA1IGF1RMAPK1MAPK14MAPK3
SCHEMBL7301948 0.90 ADORA1 (0.59) ADORA1IGF1RMAPK1MAPK14MAPK3

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1429775-A4 METHODS OF TREATING PULMONARY DISEASE BIOGEN IDEC INC (US) 2007-04-11 EP claimed
US-20040259889-A1 Methods of treating pulmonary disease BIOGEN IDEC MA INC. 2004-12-23 US claimed
EP-1429775-A1 METHODS OF TREATING PULMONARY DISEASE Biogen Idec MA Inc. (US) 2004-06-23 EP claimed
WO-2003022284-A1 METHODS OF TREATING PULMONARY DISEASE BIOGEN IDEC MA INC. (US) 2003-03-20 WO claimed
EP-1429775-A4 METHODS OF TREATING PULMONARY DISEASE BIOGEN IDEC INC (US) 2007-04-11 EP disclosed
US-20040259889-A1 Methods of treating pulmonary disease BIOGEN IDEC MA INC. 2004-12-23 US disclosed
EP-1429775-A1 METHODS OF TREATING PULMONARY DISEASE Biogen Idec MA Inc. (US) 2004-06-23 EP disclosed
WO-2003022284-A1 METHODS OF TREATING PULMONARY DISEASE BIOGEN IDEC MA INC. (US) 2003-03-20 WO disclosed
EP-0497258-B1 Use of adenosine antagonists in the prevention and treatment of pancreatitis and ulcer FUJISAWA PHARMACEUTICAL CO (JP) 2002-01-02 EP disclosed
EP-0467248-B1 Pyrazolopyridine compound and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1998-10-28 EP disclosed
US-5338743-A Pancreatitis FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-08-16 US disclosed
US-5204346-A Cognition activators; analgesics; antidepressants; vasodilation; cardiovascular and urogential disorders; FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-04-20 US disclosed
EP-0497258-A2 Use of adenosine antagonists in the prevention and treatment of pancreatitis and ulcer FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-08-05 EP disclosed
EP-0467248-A2 Pyrazolopyridine compound and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-01-22 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 (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-20040259889-A1 Methods of treating pulmonary disease ADORA1, ADORA2A, TBXA2R ADORA1 1/4885IGF1R 3515/4885MAPK1 4081/4885

“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.