SCHEMBL732823

SCHEMBL732823

COCc1nn(-c2ccccn2)c2s[c]cc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
FLT3 P36888 3/20 0.33
KIT P10721 2/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
AURKA O14965 1/20 0.33
JAK2 O60674 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FFAR4 Q5NUL3 2/20 0.32
ALDH1A1 P00352 5/20 0.32
HPGD P15428 4/20 0.32
HSD17B10 Q99714 3/20 0.32
ALOX15 P16050 1/20 0.32
PLK4 O00444 1/20 0.32
ROCK2 O75116 1/20 0.32
RPS6KA5 O75582 1/20 0.32
MAP4K4 O95819 1/20 0.32
INSR P06213 1/20 0.32
ROS1 P08922 1/20 0.32
PIM1 P11309 1/20 0.32
PHKG2 P15735 1/20 0.32

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
SCHEMBL732917 0.87 FFAR4 (0.42) MAPTFLT3L3MBTL1FFAR4ALDH1A1
SCHEMBL731528 0.80 MAPT (0.44) MAPTL3MBTL1FFAR4ALDH1A1HPGD
SCHEMBL731118 0.75 L3MBTL1 (0.45) MAPTL3MBTL1ALDH1A1HPGDRAB9A
SCHEMBL733180 0.73 GRM7 (0.35) MAPTFLT3KITL3MBTL1ALDH1A1
SCHEMBL15332785 0.68 MAPT (0.37) MAPTFLT3KITIRAK4L3MBTL1
SCHEMBL730513 0.62 ADORA1 (0.34) MAPTL3MBTL1RAB9ANPC1KDM4E
SCHEMBL24140150 0.60 KIT (0.41) MAPTFLT3KITIRAK4AURKA
SCHEMBL692814 0.59 MAPT (0.54) MAPTFLT3KITIRAK4AURKA
SCHEMBL754866 0.57
SCHEMBL29424113 0.57

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 MAPT 4484/4885FLT3 1327/4885KIT 3764/4885

“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.