SCHEMBL4050528

SCHEMBL4050528

CCn1nc(-c2cccc(F)c2)c(C#N)c(N)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.48
ADORA2B P29275 2/20 0.48
ADORA2A P29274 1/20 0.48
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PIK3CD O00329 8/20 0.40
GRIA2 P42262 1/20 0.39
GRIA4 P48058 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
CHUK O15111 1/20 0.38
PIK3CG P48736 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CYP11B1 P15538 1/20 0.37

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
SCHEMBL4056056 0.87 PDE4A (0.42) ADORA1ADORA2BADORA2AKDM4EHPGD
SCHEMBL4058886 0.85 ADORA1 (0.43) ADORA1ADORA2BADORA2AKDM4EHPGD
SCHEMBL4059086 0.85 PDE4A (0.51) ADORA1ADORA2AKDM4EHPGDALDH1A1
SCHEMBL27654535 0.85 PDE4A (0.39) ADORA1ADORA2BADORA2AKDM4EALDH1A1
SCHEMBL4057211 0.81 ADORA1 (0.41) ADORA1ADORA2BADORA2AKDM4EHPGD
SCHEMBL4051111 0.81 PDE4B (0.44) ADORA1ADORA2BADORA2AKDM4EHPGD
SCHEMBL4061368 0.79 PDE4B (0.43) ADORA1PDE4APDE4BPDE4CPDE4D
SCHEMBL4054388 0.79 RIPK2 (0.44)
SCHEMBL4050693 0.78 PDE4B (0.43) ADORA1ADORA2BADORA2AKDM4EHPGD
SCHEMBL4059500 0.76 JAK2 (0.43) ALDH1A1PDE4APDE4BPDE4CPDE4D

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 ADORA1 409/4885ADORA2B 837/4885ADORA2A 729/4885

“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.