SCHEMBL4060924

SCHEMBL4060924

COc1nnc(-c2ccccc2)cc1-c1ccccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 2/20 0.50
SMARCA4 P51532 2/20 0.50
PBRM1 Q86U86 2/20 0.50
MAPT P10636 4/20 0.47
SQOR Q9Y6N5 3/20 0.47
CASP1 P29466 1/20 0.47
ADORA3 P0DMS8 2/20 0.46
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
BRD4 O60885 1/20 0.43
NR1I2 O75469 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
MAOB P27338 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
SCHEMBL1752806 0.76 SQOR (0.53) SMARCA2SMARCA4PBRM1MAPTSQOR
SCHEMBL581809 0.76 SMN1; SMN2 (0.53) SMARCA2SMARCA4PBRM1MAPTSQOR
SCHEMBL4062873 0.75 SQOR (0.47) SMARCA2SMARCA4PBRM1MAPTSQOR
SCHEMBL581362 0.75 SMN1; SMN2 (0.51) SMARCA2SMARCA4PBRM1MAPTSQOR
SCHEMBL6380688 0.73 PDE4A (0.43) MAPTSQORALDH1A1MEN1KMT2A
SCHEMBL4044624 0.71 SQOR (0.51) SMARCA2SMARCA4PBRM1MAPTSQOR
SCHEMBL1752784 0.70 SMARCA2 (0.72) SMARCA2SMARCA4PBRM1MAPTADORA3
SCHEMBL4060916 0.70 ACP1 (0.50) MAPTSQORMEN1KMT2ATSHR
SCHEMBL14985963 0.68 ALDH1A1 (0.59) MAPTSQORCASP1ALDH1A1NPC1
SCHEMBL4039024 0.68 SQOR (0.47) MAPTSQORCASP1ALDH1A1NPC1

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 SMARCA2 4011/4885SMARCA4 2971/4885PBRM1 2883/4885

“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.