SCHEMBL4060916

SCHEMBL4060916

COc1nnc(-c2ccccc2)cc1Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 9/20 0.50
ABCB1 P08183 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
SQOR Q9Y6N5 2/20 0.43
GAA P10253 1/20 0.43
PDE4B Q07343 2/20 0.43
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
TP53 P04637 1/20 0.40
TGFBR1 P36897 1/20 0.40

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 0.75 SQOR (0.53) SQORGAAMAPTMEN1TSHR
SCHEMBL581809 0.75 SMN1; SMN2 (0.53) SQORGAAMAPTMEN1TSHR
SCHEMBL581362 0.73 SMN1; SMN2 (0.51) SQORGAAMAPTMEN1TSHR
SCHEMBL4062873 0.73 SQOR (0.47) SQORGAAMAPTMEN1TSHR
SCHEMBL10168690 0.73 PDE4B (0.52) ACP1ABCB1ABCG2SQORPDE4B
SCHEMBL28455118 0.71 ACP1 (0.49) ACP1ABCB1ABCG2SQORMAPT
SCHEMBL4060924 0.70 SMARCA2 (0.50) SQORGAAMAPTMEN1TSHR
SCHEMBL1752972 0.69 ACHE (0.50) ABCG2GAAMAPTMEN1KMT2A
SCHEMBL6380688 0.69 PDE4A (0.43) SQORPDE4BMAPTMEN1TSHR
Diphenylamine SCHEMBL6636481 0.69 HSD17B10 (0.50) ABCG2GAAMAPTMEN1TSHR

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 ACP1 1248/4885ABCB1 472/4885ABCG2 1057/4885

“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.