SCHEMBL1994564

SCHEMBL1994564

CCn1nc(C(=O)OCc2ccccn2)cc(N)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.42
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 3/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL2001144 0.84 MAPT (0.45) SMN1; SMN2ALDH1A1MAPK1TSHRLMNA
SCHEMBL2002767 0.80 CASP3 (0.43) NPC1RAB9AALDH1A1CASP3SENP8
SCHEMBL1999820 0.79 ALDH1A1 (0.42) NPC1RAB9AALDH1A1MAPK1HPGD
SCHEMBL2001351 0.78 NPC1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL1998314 0.78 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MAPK1HPGDLMNA
SCHEMBL1994640 0.77 KDM4E (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL1997786 0.77 KMT2A (0.47) SMN1; SMN2ALDH1A1HPGDLMNANPSR1
SCHEMBL1996427 0.76 MMP9 (0.43) SMN1; SMN2ALDH1A1CASP3SENP8SENP7
SCHEMBL1998180 0.76 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL1999165 0.76 GABRP (0.38) RAB9AALDH1A1TSHRLMNANPSR1

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 CNR2 1050/4885NPC1 4145/4885RAB9A 1442/4885

“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.