SCHEMBL5254693

SCHEMBL5254693

Cc1cc(Br)cnc1C(C)(C)O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
AAK1 Q2M2I8 1/20 0.35
KMT2A Q03164 2/20 0.34
HTT P42858 2/20 0.34
ALDH1A1 P00352 5/20 0.33
NPC1 O15118 2/20 0.33
MEN1 O00255 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
IDO1 P14902 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PLAU P00749 1/20 0.31
EDNRA P25101 1/20 0.31
DYRK1A Q13627 2/20 0.31

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
SCHEMBL21718950 0.83 S1PR1 (0.38) S1PR1S1PR3SMN1; SMN2AAK1KMT2A
SCHEMBL2147947 0.82 HTT (0.33) SMN1; SMN2KMT2AHTTALDH1A1NPC1
SCHEMBL22140337 0.80 KMT2A (0.41) SMN1; SMN2KMT2AHTTALDH1A1NPC1
SCHEMBL29818360 0.80 PLAU (0.43) S1PR1S1PR3SMN1; SMN2KMT2AHTT
SCHEMBL30788043 0.80 KMT2A (0.41) SMN1; SMN2KMT2AHTTALDH1A1NPC1
SCHEMBL25206015 0.80 PLAU (0.43) S1PR1S1PR3SMN1; SMN2KMT2AHTT
SCHEMBL22770846 0.79 S1PR1 (0.36) S1PR1S1PR3SMN1; SMN2AAK1KMT2A
SCHEMBL6219877 0.77 RAB9A (0.35) SMN1; SMN2KMT2AHTTALDH1A1NPC1
SCHEMBL25206544 0.77 SSTR4 (0.36) KMT2AHTT
SCHEMBL29818604 0.77 SSTR4 (0.36) KMT2AHTT

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
EP-1517895-B1 8-(BIARYL) QUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA LTD (CA) 2007-03-14 EP disclosed
US-7153968-B2 8-(biaryl)quinoline PDE4 inhibitors MERCK FROSST CANADA, LTD. (CA) 2006-12-26 US disclosed
US-20050234238-A1 8-(Biaryl)quinoline pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2005-10-20 US disclosed
EP-1517895-A1 8-(BIARYL) QUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA INC. (CA) 2005-03-30 EP disclosed
WO-2004000814-A1 8-(BIARYL) QUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-12-31 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-20050234238-A1 8-(Biaryl)quinoline pde4 inhibitors IL4, PDE4A, PDE4C S1PR1 1450/4885S1PR3 1318/4885SMN1; SMN2 509/4885

“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.