SCHEMBL871099

SCHEMBL871099

c1ccc2c(c1)NCCO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ITGB2 P05107 1/20 0.50
ICAM1 P05362 1/20 0.50
ITGAL P20701 1/20 0.50
LMNA P02545 2/20 0.44
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
KEAP1 Q14145 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
BRD4 O60885 1/20 0.42
GRM5 P41594 3/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
ALOX5 P09917 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39

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
SCHEMBL8942627 1.00 GAA (0.55) GAAALDH1A1MAPTHSD17B10ITGB2
SCHEMBL88894 1.00 GAA (0.55) GAAALDH1A1MAPTHSD17B10ITGB2
SCHEMBL56313 1.00 GAA (0.55) GAAALDH1A1MAPTHSD17B10ITGB2
Hydrochloric Acid SCHEMBL27373511 0.98 GAA (0.53) GAAALDH1A1MAPTHSD17B10ITGB2
SCHEMBL6046277 0.96 ITGB2 (0.58) GAAALDH1A1MAPTHSD17B10ITGB2
SCHEMBL8521592 0.88 SMN1; SMN2 (0.59) GAAALDH1A1MAPTHSD17B10ITGB2
SCHEMBL2316918 0.88 SMN1; SMN2 (0.59) GAAALDH1A1MAPTHSD17B10ITGB2
SCHEMBL15479701 0.88 SMN1; SMN2 (0.59) GAAALDH1A1MAPTHSD17B10ITGB2
SCHEMBL2315177 0.88 SMN1; SMN2 (0.59) GAAALDH1A1MAPTHSD17B10ITGB2
SCHEMBL16738555 0.87 GAA (0.45) GAAALDH1A1MAPTHSD17B10ITGB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2778156-B1 Phenoxypyridinylamide derivatives and their use in the treatment of PDE4 mediated disease states ASTRAZENECA AB (SE) 2016-11-30 EP disclosed
EP-2106396-B1 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ALCON RES LTD (US) 2014-09-24 EP disclosed
EP-2778156-A1 Phenoxypyridinylamide derivatives and their use in the treatment of PDE4 mediated disease states AstraZeneca AB (Publ) (SE) 2014-09-17 EP disclosed
US-8273774-B2 Phenoxypyridinylamide compounds ASTRAZENECA AB (SE) 2012-09-25 US disclosed
US-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 US disclosed
EP-2297106-A1 PHENOXYPYRIDINYLAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PDE4 MEDIATED DISEASE STATES AstraZeneca AB (SE) 2011-03-23 EP disclosed
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 US disclosed
US-20100041638-A1 Chemical Compounds 293 ASTRAZENECA AB (SE) 2010-02-18 US disclosed
WO-2009144494-A1 PHENOXYPYRIDINYLAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PDE4 MEDIATED DISEASE STATES ASTRAZENECA AB (SE) 2009-12-03 WO disclosed
EP-2106396-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS AstraZeneca AB (SE) 2009-10-07 EP disclosed
US-20090233907-A1 Pyridopyrimidine Derivatives and Their Use as PDE4 Inhibitors ASTRAZENECA AB (SE) 2009-09-17 US disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US disclosed
EP-1999130-A1 PYRIDOPYRIMIDINE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS AstraZeneca AB (SE) 2008-12-10 EP disclosed
US-20080207650-A1 Chemical Compounds 636 ASTRAZENECA AB (SE) 2008-08-28 US disclosed
WO-2008084240-A1 CHEMICAL COMPOUNDS 636 : PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2008-07-17 WO disclosed
WO-2008084223-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2008-07-17 WO disclosed
WO-2007108750-A1 PYRIDOPYRIMIDINE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2007-09-27 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 (6 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-20120077801-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B GAA 233/4885ALDH1A1 331/4885MAPT 3006/4885
US-20090233907-A1 Pyridopyrimidine Derivatives and Their Use as PDE4 Inhibitors PDE4A, PDE4B, PDE12 GAA 453/4885ALDH1A1 338/4885MAPT 2692/4885
US-20100041638-A1 Chemical Compounds 293 PDE4B, PDE4A, PDE3B GAA 182/4885ALDH1A1 333/4885MAPT 2725/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B GAA 233/4885ALDH1A1 331/4885MAPT 3006/4885
US-20080207650-A1 Chemical Compounds 636 PDE4A, PDE3B, PDE3A GAA 300/4885ALDH1A1 414/4885MAPT 2999/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A GAA 337/4885ALDH1A1 295/4885MAPT 2491/4885

“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.