SCHEMBL1994640

SCHEMBL1994640

CCn1nc(C(=O)OCc2ccc(Br)cc2)cc(N)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
KMT2A Q03164 4/20 0.43
FPR1 P21462 1/20 0.42
FPR2 P25090 1/20 0.42
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
MMP1 P03956 1/20 0.40
MEN1 O00255 3/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.36
FLT3 P36888 1/20 0.36
RECQL P46063 2/20 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
SCHEMBL2001144 0.88 MAPT (0.45) KDM4EKMT2AMAPTALDH1A1MEN1
SCHEMBL1996427 0.87 MMP9 (0.43) KDM4EKMT2AMAPTALDH1A1MMP1
SCHEMBL1998314 0.82 SMN1; SMN2 (0.44) KDM4EKMT2AMAPTALDH1A1HPGD
SCHEMBL1999165 0.82 GABRP (0.38) KMT2AFPR1FPR2MAPTALDH1A1
SCHEMBL1999820 0.81 ALDH1A1 (0.42) KDM4EKMT2AMAPTALDH1A1HPGD
SCHEMBL1997786 0.81 KMT2A (0.47) KDM4EKMT2AALDH1A1HPGDMMP1
SCHEMBL1999469 0.81 KMT2A (0.41) KDM4EKMT2AMAPTALDH1A1HPGD
SCHEMBL1998180 0.80 ALDH1A1 (0.53) KDM4EKMT2AMAPTALDH1A1HPGD
SCHEMBL5608167 0.78 KMT2A (0.39) KDM4EKMT2AMAPTALDH1A1HPGD
SCHEMBL1999815 0.78 POLB (0.41) KDM4EMAPTALDH1A1POLBMAOB

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-7960383-B2 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 SA (ES) 2011-06-14 US disclosed
EP-1758869-B1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL SA (ES) 2010-12-22 EP disclosed
US-20080280918-A1 Pyridazin-3(2H)-One Derivatives and Their Use as Pde4 Inhibitors ALMIRALL PRODESFARMA, SA (ES) 2008-11-13 US disclosed
EP-1758869-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2007-03-07 EP disclosed
WO-2005123692-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2005-12-29 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-20080280918-A1 Pyridazin-3(2H)-One Derivatives and Their Use as Pde4 Inhibitors PDE12, PDE4A, PDE4B KDM4E 742/4885KMT2A 2498/4885FPR1 1351/4885

“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.