SCHEMBL4054889

SCHEMBL4054889

CCn1nc(-c2ccc(O)cc2)cc(N)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.44
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
ADORA2A P29274 2/20 0.39
ADORA2B P29275 2/20 0.39
ADORA1 P30542 2/20 0.39
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ESR1 P03372 2/20 0.38
ESRRB O95718 1/20 0.38
ESRRA P11474 1/20 0.38
ESR2 Q92731 1/20 0.38
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4055324 0.87 GAA (0.49) ALDH1A1TSHRMAPK1NPC1LMNA
SCHEMBL4053270 0.85 SMN1; SMN2 (0.49) PDE4BALDH1A1ADORA2AADORA1NPC1
SCHEMBL4053231 0.84 AURKB (0.48) PDE4BALDH1A1ADORA2AADORA1LMNA
SCHEMBL4054330 0.83 MAPT (0.46) ALDH1A1ADORA2ANPC1LMNARAB9A
SCHEMBL4062839 0.80 PRMT5 (0.36) PDE4BALDH1A1TSHRMAPK1ADORA2A
SCHEMBL10194702 0.78 KDM4E (0.52) ALDH1A1TSHRGABRA1GABRB2KDM4E
SCHEMBL4061285 0.77 NPC1 (0.47) PDE4BALDH1A1ADORA2AADORA2BADORA1
SCHEMBL4059984 0.77 TBXAS1 (0.56) PDE4BALDH1A1ADORA2AADORA2BADORA1
SCHEMBL2824627 0.76 PDE4B (0.53) PDE4BALDH1A1ADORA2AADORA2BADORA1
SCHEMBL4055321 0.76 HDAC1 (0.45) PDE4BTSHRADORA2AADORA2BADORA1

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-7511038-B2 Pyridazin-3(2H)-one derivatives and their use as PDE4 inhibitors LABORATORIOS ALMIRALL S.A. (ES) 2009-03-31 US disclosed
US-20070197536-A1 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, S.A. (ES) 2007-08-23 US disclosed
CN-1878759-A Pyridazin-3 (2H) -one derivatives and their use as PDE4 inhibitors ALMIRALL PRODESFARMA SA (ES) 2006-12-13 CN disclosed
EP-1682519-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2006-07-26 EP disclosed
WO-2005049581-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL PRODESFARMA, S.A. (ES) 2005-06-02 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-20070197536-A1 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 PDE12, PDE4A, PDE7A PDE4B 5/4885ALDH1A1 193/4885TSHR 3288/4885

“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.