SCHEMBL4055442

SCHEMBL4055442

CCn1nc(-c2ccccc2)c(-c2csc(-c3ccc(Cl)cc3)n2)c(N)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.44
ADORA1 P30542 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
CYP19A1 P11511 1/20 0.43
NR1H3 Q13133 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 3/20 0.41
RAB9A P51151 3/20 0.41
KMT2A Q03164 3/20 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
SCHEMBL4060177 0.94 ADORA3 (0.48) GNRHRADORA1ADORA3CYP19A1ALDH1A1
SCHEMBL5752624 0.90 KDM4E (0.48) ADORA1ADORA3CYP19A1ALDH1A1MAPT
SCHEMBL4055063 0.88 CYP19A1 (0.47) ADORA1ADORA3CYP19A1ALDH1A1MAPT
SCHEMBL5236994 0.84 ADORA1 (0.47) ADORA1ADORA3CYP19A1ALDH1A1MAPT
SCHEMBL4052865 0.83 ADORA3 (0.48) ADORA1ADORA3ALDH1A1HTTNPSR1
SCHEMBL4052875 0.80 CYP19A1 (0.49) CYP19A1ALDH1A1CYP1A2MAPTKDM4E
SCHEMBL4055240 0.78 CYP19A1 (0.39) GNRHRADORA1ADORA3CYP19A1ALDH1A1
SCHEMBL4057217 0.78 CYP19A1 (0.43) GNRHRADORA1ADORA3CYP19A1NR1H3
SCHEMBL4051610 0.78 MAPT (0.44) ADORA1ADORA3ALDH1A1HTTNPSR1
SCHEMBL4050978 0.77 PDE4A (0.53) ADORA1ADORA3ALDH1A1MAPTSMN1; SMN2

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 4 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
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 GNRHR 4729/4885ADORA1 409/4885ADORA3 582/4885

“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.