SCHEMBL4364503

SCHEMBL4364503

FC(F)(F)c1c(-c2ccccn2)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.44
LMNA P02545 5/20 0.42
METAP1 P53582 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
HIF1A Q16665 2/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DHODH Q02127 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 3/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
ADORA2A P29274 1/20 0.38

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
SCHEMBL28048083 0.79 LMNA (0.49) TOP1LMNAL3MBTL1ALDH1A1HTT
SCHEMBL13726246 0.72 L3MBTL1 (0.49) TOP1LMNAMETAP1L3MBTL1RAB9A
SCHEMBL4093838 0.72 KDM4E (0.56) LMNAMETAP1L3MBTL1RAB9ANPC1
SCHEMBL2913642 0.71 METAP1 (0.64) LMNAMETAP1L3MBTL1RAB9ANPC1
SCHEMBL13820014 0.71 L3MBTL1 (0.47) TOP1LMNAMETAP1L3MBTL1RAB9A
SCHEMBL13726307 0.71 L3MBTL1 (0.47) TOP1LMNAMETAP1L3MBTL1RAB9A
SCHEMBL13726490 0.71 L3MBTL1 (0.51) TOP1LMNAMETAP1L3MBTL1RAB9A
SCHEMBL321429 0.70 METAP1 (0.58) LMNAMETAP1L3MBTL1RAB9ANPC1
SCHEMBL29488283 0.70 METAP1 (0.58) LMNAMETAP1L3MBTL1RAB9ANPC1
SCHEMBL13726181 0.70 KDM4E (0.55) LMNAMETAP1L3MBTL1RAB9ANPC1

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-7482456-B2 antiasthmatic; antiinflammatory; minimal side effects; 8-(3-{2-(3-chlorophenyl)-4-[4-(methylsulfonyl)phenyl]-1,3-thiazol-5-yl}phenyl)-6-[1-methyl-1-(methylsulfonyl)ethyl]quinoline; 2-[5-(3-{6-[1-methyl-1-(methylsulfonyl)ethyl]quinolin-8-yl}phenyl)-4-pyridin-3-yl-1,3-thiazol-2-yl]propan-2-ol MERCK FROSST CANADA 2009-01-27 US disclosed
US-20060223850-A1 8-(3-Biaryl)phenylquinoline phosphodiesterase-4 inhibitors MERCK FROSST CANADA & CO. (CA) 2006-10-05 US disclosed
EP-1635829-A1 8-(3-BIARYL)PHENYLQUINOLINE PHOSPHODIESTERASE-4-INHIBITORS Merck Frosst Canada Ltd. (CA) 2006-03-22 EP disclosed
WO-2004096220-A1 8-(3-BIARYL)PHENYLQUINOLINE PHOSPHODIESTERASE-4-INHIBITORS MERCK FROSST CANADA LTD. (CA) 2004-11-11 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-20060223850-A1 8-(3-Biaryl)phenylquinoline phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE3B TOP1 118/4885LMNA 3323/4885METAP1 904/4885

“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.