SCHEMBL4062873

SCHEMBL4062873

COc1nnc(-c2ccccc2)cc1I

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 5/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.46
CYP1A2 P05177 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
SMARCA2 P51531 1/20 0.42
SMARCA4 P51532 1/20 0.42
PBRM1 Q86U86 1/20 0.42
LMNA P02545 2/20 0.41
ADRB2 P07550 1/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 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
SCHEMBL1749908 0.84 AURKA (0.41) SQORMAPTTSHRCYP1A2ALDH1A1
SCHEMBL581809 0.80 SMN1; SMN2 (0.53) SQORMEN1KMT2AMAPTTSHR
SCHEMBL1752806 0.80 SQOR (0.53) SQORMEN1KMT2AMAPTTSHR
SCHEMBL581362 0.79 SMN1; SMN2 (0.51) SQORMEN1KMT2AMAPTTSHR
SCHEMBL4060924 0.75 SMARCA2 (0.50) SQORMEN1KMT2AMAPTTSHR
SCHEMBL6380688 0.73 PDE4A (0.43) SQORMEN1KMT2AMAPTTSHR
SCHEMBL4060916 0.73 ACP1 (0.50) SQORMEN1KMT2AMAPTTSHR
SCHEMBL6378259 0.71 SQOR (0.41) SQORMEN1KMT2AMAPTTSHR
SCHEMBL1753028 0.70 SQOR (0.40) SQORMEN1KMT2AMAPTTSHR
SCHEMBL2047085 0.69 ALDH1A1 (0.52) SQORMEN1KMT2AMAPTTSHR

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 SQOR 2943/4885MEN1 4864/4885KMT2A 1928/4885

“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.