SCHEMBL4057374

SCHEMBL4057374

CCn1nc(-c2ccccc2)c(-c2csc(-c3ccncc3)n2)c(Nc2cnccc2C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 2/20 0.40
AR P10275 1/20 0.40
KMT2A Q03164 1/20 0.40
CDK5 Q00535 2/20 0.39
CDK5R1 Q15078 2/20 0.39
ADORA1 P30542 3/20 0.38
PDE4B Q07343 3/20 0.38
ADORA3 P0DMS8 1/20 0.38
TBXAS1 P24557 1/20 0.38
ADORA2A P29274 2/20 0.38
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 2/20 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
SCHEMBL4057217 0.94 CYP19A1 (0.43) CYP19A1RAB9ANPC1KDM4EKMT2A
SCHEMBL4049566 0.93 CYP19A1 (0.46) CYP19A1RAB9ANPC1KDM4EKMT2A
SCHEMBL4054464 0.92 ADORA1 (0.40) CYP19A1RAB9ANPC1ADORA1PDE4B
SCHEMBL4051865 0.87 CYP19A1 (0.46) CYP19A1RAB9ANPC1KDM4EAR
SCHEMBL5751592 0.84 PDE4B (0.37) CYP19A1KMT2AADORA1PDE4BADORA2A
SCHEMBL4055240 0.81 CYP19A1 (0.39) CYP19A1KMT2ACDK5CDK5R1ADORA1
SCHEMBL4052875 0.81 CYP19A1 (0.49) CYP19A1RAB9ANPC1KDM4EKMT2A
SCHEMBL4052369 0.80 CYP19A1 (0.42) CYP19A1RAB9ANPC1KDM4EKMT2A
SCHEMBL5752624 0.80 KDM4E (0.48) CYP19A1RAB9ANPC1KDM4EAR
SCHEMBL4049594 0.79 CYP19A1 (0.52) CYP19A1RAB9ANPC1KDM4EKMT2A

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 6 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 claimed
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 claimed
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 CYP19A1 424/4885RAB9A 1263/4885NPC1 3779/4885

“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.