SCHEMBL1999700

SCHEMBL1999700

CCn1nc(C(=O)OC(C)C)cc(N)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.39
ALDH1A1 P00352 3/20 0.38
BLM P54132 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 2/20 0.33
ELANE P08246 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 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
SCHEMBL1995511 0.84 GABRA1 (0.42) ADORA3ALDH1A1AURKARPS6KB1SMN1; SMN2
SCHEMBL1994448 0.83 CYP17A1 (0.36) ADORA3ALDH1A1NPC1RAB9AAURKA
SCHEMBL1999820 0.83 ALDH1A1 (0.42) ADORA3ALDH1A1NPC1RAB9AMAPT
SCHEMBL1996418 0.79 MARS1 (0.42) ALDH1A1BLMNPC1L3MBTL1AURKA
SCHEMBL2001144 0.76 MAPT (0.45) ALDH1A1L3MBTL1SMN1; SMN2MAPTLMNA
SCHEMBL1994640 0.74 KDM4E (0.43) ALDH1A1NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL1996427 0.73 MMP9 (0.43) ALDH1A1SMN1; SMN2TP53MAPTLMNA
SCHEMBL1998314 0.72 SMN1; SMN2 (0.44) ADORA3ALDH1A1L3MBTL1SMN1; SMN2MAPT
SCHEMBL1994564 0.72 CNR2 (0.42) ADORA3ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL1999165 0.72 GABRP (0.38) ALDH1A1RAB9AMAPTLMNAFPR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960383-B2 phosphodiesterase enzyme inhibitor; 4-[(3-chlorophenyl)amino]-2-ethyl-5-(1-hydroxyethyl)-6-phenylpyridazin-3(2H)-one; potent antiinflammatory agent; asthma, atopic dermatitis, psoriasis, chronic obstructive pulmonary disease, rheumatoid arthritis, irritable bowel disease LABORATORIOS ALMIRALL SA (ES) 2011-06-14 US disclosed
EP-1758869-B1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL SA (ES) 2010-12-22 EP disclosed
US-20080280918-A1 Pyridazin-3(2H)-One Derivatives and Their Use as Pde4 Inhibitors ALMIRALL PRODESFARMA, SA (ES) 2008-11-13 US disclosed
EP-1758869-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2007-03-07 EP disclosed
WO-2005123692-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2005-12-29 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 (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-20080280918-A1 Pyridazin-3(2H)-One Derivatives and Their Use as Pde4 Inhibitors PDE12, PDE4A, PDE4B ADORA3 364/4885ALDH1A1 457/4885BLM 2758/4885

“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.