SCHEMBL4055324

SCHEMBL4055324

CCn1nc(-c2ccc(C)cc2)cc(N)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
MEN1 O00255 8/20 0.48
KMT2A Q03164 8/20 0.48
SMN1; SMN2 Q16637 8/20 0.48
MAPT P10636 7/20 0.48
TP53 P04637 6/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
POLB P06746 1/20 0.44
LMNA P02545 3/20 0.43
TSHR P16473 2/20 0.42
STAT1 P42224 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL4054889 0.87 PDE4B (0.44) GAAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4053270 0.86 SMN1; SMN2 (0.49) GAAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4053231 0.85 AURKB (0.48) MEN1KMT2ASMN1; SMN2MAPTTP53
SCHEMBL4062839 0.84 PRMT5 (0.36) GAAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4061285 0.84 NPC1 (0.47) KMT2ASMN1; SMN2MAPTTP53ALDH1A1
SCHEMBL4054330 0.84 MAPT (0.46) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL4053217 0.81 CYP11B2 (0.42)
SCHEMBL4059984 0.78 TBXAS1 (0.56) KMT2AMAPTALDH1A1KDM4ECYP2C19
SCHEMBL2824627 0.77 PDE4B (0.53) MEN1KMT2ASMN1; SMN2MAPTTP53
SCHEMBL4055321 0.77 HDAC1 (0.45) GAAMEN1KMT2ASMN1; SMN2MAPT

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 5 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
CN-1878759-A Pyridazin-3 (2H) -one derivatives and their use as PDE4 inhibitors ALMIRALL PRODESFARMA SA (ES) 2006-12-13 CN 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 GAA 577/4885MEN1 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.