SCHEMBL4048996

SCHEMBL4048996

NC(CCN1CCOCC1)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
CASR P41180 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KCNA5 P22460 1/20 0.42
ACHE P22303 1/20 0.41

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
SCHEMBL2608042 0.82 ACHE (0.54) ALDH1A1ACHE
SCHEMBL18799364 0.82 ACHE (0.54) ALDH1A1ACHE
SCHEMBL5383680 0.75 ADORA2B (0.38) ALDH1A1KDM4EHSD17B10KCNA5
SCHEMBL4243250 0.75 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1ACHE
SCHEMBL5384192 0.75 ADORA2B (0.38) ALDH1A1KDM4EHSD17B10KCNA5
SCHEMBL5384441 0.75 ADORA2B (0.38) ALDH1A1KDM4EHSD17B10KCNA5
SCHEMBL126320 0.75 CASR (0.54) CASRSMN1; SMN2ALDH1A1ACHE
SCHEMBL4246710 0.74 NPC1 (0.52) ACHE
SCHEMBL3344245 0.74 ACHE (0.61) KDM4EACHE
SCHEMBL4244929 0.74 TSHR (0.48) SMN1; SMN2ALDH1A1KDM4EACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819710-B1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES ALMIRALL LAB (ES) 2009-03-11 EP disclosed
US-20090029955-A1 Pyridothienopyrimidine Derivatives ALMIRALL PRODESFARMA S.A. (ES) 2009-01-29 US disclosed
US-20080221096-A1 Pyrido[3' ,2':4,5]Furo[3,2-d]Pyrimidine Derivatives LABORATORIOS ALMIRALL, S.A. (ES) 2008-09-11 US disclosed
US-20080207645-A1 Pyridothienopyrimidine Derivatives PAGES SANTACANA LUIS MIGUEL 2008-08-28 US disclosed
EP-1913003-A1 NEW PYRIDO[3',2':4,5]FURO[3,2-d]PYRIMIDINE DERIVATIVES Laboratorios Almirall, S.A. (ES) 2008-04-23 EP disclosed
EP-1819710-A1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES Laboratorios Almirall, S.A. (ES) 2007-08-22 EP disclosed
EP-1819712-A1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES Laboratorios Almirall, S.A. (ES) 2007-08-22 EP disclosed
WO-2007017078-A1 NEW PYRIDO[3',2':4,5]FURO[3,2-d]PYRIMIDINE DERIVATIVES LABORATORIOS ALMIRALL, S.A. (ES) 2007-02-15 WO disclosed
WO-2006058723-A1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES LABORATORIOS ALMIRALL, S.A. (ES) 2006-06-08 WO disclosed
WO-2006058724-A1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES LABORATORIOS ALMIRALL, S.A. (ES) 2006-06-08 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 (3 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-20090029955-A1 Pyridothienopyrimidine Derivatives PNPO, PDE4A, DPYD GAA 719/4885CASR 4256/4885SMN1; SMN2 760/4885
US-20080207645-A1 Pyridothienopyrimidine Derivatives PDE4A, PDE5A, PDE3B GAA 908/4885CASR 3630/4885SMN1; SMN2 797/4885
US-20080221096-A1 Pyrido[3' ,2':4,5]Furo[3,2-d]Pyrimidine Derivatives NR1H2, CBR3, NR4A1 GAA 4859/4885CASR 1930/4885SMN1; SMN2 3624/4885

“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.