SCHEMBL1997935

SCHEMBL1997935

CCn1nc(C(=O)OC(F)(F)F)c(Cc2ccccc2)c(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
PDE4B Q07343 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
S1PR2 O95136 1/20 0.33

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
SCHEMBL2828825 0.90 KMT2A (0.40) SMN1; SMN2KMT2AL3MBTL1MEN1ALDH1A1
SCHEMBL1997196 0.85 PDE4B (0.34) SMN1; SMN2KMT2AL3MBTL1MAPTKDM4E
SCHEMBL2829411 0.85 TRPV1 (0.43) SMN1; SMN2KMT2AALDH1A1MAPTKDM4E
SCHEMBL2828384 0.84 SMN1; SMN2 (0.38) SMN1; SMN2KMT2AL3MBTL1MEN1ALDH1A1
SCHEMBL2828404 0.84 LMNA (0.44) SMN1; SMN2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL2829010 0.83 HPGD (0.41) SMN1; SMN2KMT2AL3MBTL1MEN1ALDH1A1
SCHEMBL2829418 0.82 MAPT (0.40) KMT2AL3MBTL1MEN1ALDH1A1MAPT
SCHEMBL2828338 0.82 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AL3MBTL1MEN1ALDH1A1
SCHEMBL2825898 0.82 ALDH1A1 (0.51) SMN1; SMN2KMT2AALDH1A1KDM4EGAA
SCHEMBL2828838 0.81 SMN1; SMN2 (0.35) SMN1; SMN2KMT2AL3MBTL1MEN1ALDH1A1

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 2 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
US-20080280918-A1 Pyridazin-3(2H)-One Derivatives and Their Use as Pde4 Inhibitors ALMIRALL PRODESFARMA, SA (ES) 2008-11-13 US 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 SMN1; SMN2 4021/4885KMT2A 2498/4885L3MBTL1 4734/4885

“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.