SCHEMBL732917

SCHEMBL732917

CCc1nn(-c2ccccn2)c2s[c]cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.42
ALDH1A1 P00352 5/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
DHFR P00374 1/20 0.35
MAPT P10636 2/20 0.33
EP300 Q09472 1/20 0.33
KAT2B Q92831 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PLK4 O00444 1/20 0.33
ROCK2 O75116 1/20 0.33
RPS6KA5 O75582 1/20 0.33
MAP4K4 O95819 1/20 0.33
INSR P06213 1/20 0.33
ROS1 P08922 1/20 0.33
PIM1 P11309 1/20 0.33
PHKG2 P15735 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
SCHEMBL732823 0.87 MAPT (0.34) FFAR4ALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL731528 0.82 MAPT (0.44) FFAR4ALDH1A1L3MBTL1MAPTRAB9A
SCHEMBL731118 0.77 L3MBTL1 (0.45) ALDH1A1L3MBTL1MAPK1MAPTMEN1
SCHEMBL733180 0.75 GRM7 (0.35) ALDH1A1L3MBTL1MAPTFLT3RAB9A
SCHEMBL3322105 0.64 FFAR4 (0.40) FFAR4ALDH1A1L3MBTL1DHFRMAPT
SCHEMBL730513 0.64 ADORA1 (0.34) L3MBTL1MAPTRAB9AKDM4ENPC1
SCHEMBL3323797 0.64 FFAR4 (0.43) FFAR4ALDH1A1DHFRMAPTPDE4A
SCHEMBL29951140 0.64 FFAR4 (0.40) FFAR4ALDH1A1L3MBTL1MAPK1DHFR
SCHEMBL6341853 0.63 CCNE2 (0.40) FFAR4ALDH1A1L3MBTL1MAPK1DHFR
SCHEMBL24140150 0.61 KIT (0.41) FFAR4ALDH1A1L3MBTL1DHFRMAPT

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-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 FFAR4 3564/4885ALDH1A1 113/4885L3MBTL1 3118/4885

“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.