SCHEMBL4049150

SCHEMBL4049150

CCn1nc(-c2ccc(F)cc2)c(C(N)=O)c(N)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.45
TGFBR1 P36897 3/20 0.45
RIPK2 O43353 2/20 0.45
LCK P06239 2/20 0.45
TP53 P04637 1/20 0.43
PTGS2 P35354 2/20 0.41
PTGS1 P23219 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CSF1R P07333 1/20 0.40
FGFR1 P11362 1/20 0.40
FLT1 P17948 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CDK8 P49336 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
PRKCQ Q04759 1/20 0.40
LRRK2 Q5S007 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 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
SCHEMBL4055073 0.90 PDE4B (0.44) KDRTP53PTGS2PTGS1SMN1; SMN2
SCHEMBL4053658 0.87 TP53 (0.55) KDRTGFBR1RIPK2LCKTP53
SCHEMBL4051093 0.86 LMNA (0.51) TP53PTGS2PTGS1SMN1; SMN2KDM4E
SCHEMBL4051551 0.85 MAPT (0.53) TP53SMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL4054388 0.85 RIPK2 (0.44) KDRTGFBR1RIPK2LCKTP53
SCHEMBL4055388 0.79 RIPK2 (0.56) KDRTGFBR1RIPK2LCKTP53
SCHEMBL3029722 0.78 CSF1R (0.53) KDRSMN1; SMN2CSF1RFGFR1FLT1
SCHEMBL4051575 0.77 CSF1R (0.56) KDRTP53SMN1; SMN2CSF1RFGFR1
SCHEMBL28759635 0.77 RIPK2 (0.43) KDRTGFBR1RIPK2LCKTP53
SCHEMBL4058886 0.77 ADORA1 (0.43) KDRPTGS2PTGS1SMN1; SMN2KDM4E

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 KDR 2538/4885TGFBR1 1543/4885RIPK2 4094/4885

“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.