SCHEMBL13045933

SCHEMBL13045933

Cc1cc(C)c2c(-c3ccccc3)c[nH]c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
LOX P28300 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
GRM5 P41594 1/20 0.46
LRRK2 Q5S007 4/20 0.46
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
DYRK1A Q13627 6/20 0.43
PRKD3 O94806 3/20 0.43
MAP4K4 O95819 3/20 0.43
CLK2 P49760 3/20 0.43
CDK5 Q00535 3/20 0.43
MAP4K2 Q12851 3/20 0.43
NTRK3 Q16288 3/20 0.43
TAOK1 Q7L7X3 3/20 0.43
DYRK1B Q9Y463 3/20 0.43

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
SCHEMBL13174198 0.81 HSD17B10 (0.44) GRM5LRRK2GAAL3MBTL1DYRK1A
SCHEMBL22923901 0.75 LRRK2 (0.54) LRRK2DYRK1APRKD3MAP4K4CLK2
SCHEMBL22609952 0.73 CHUK (0.49) ALDH1A1RAB9AGRM5LRRK2DYRK1A
SCHEMBL28318061 0.69 JAK2 (0.54) ALDH1A1RAB9ALRRK2GAAL3MBTL1
SCHEMBL11471452 0.68 ADORA1 (0.49) NPC1ALDH1A1TP53LOXRAB9A
SCHEMBL743277 0.68 LRRK2 (0.46) ALDH1A1RAB9AGRM5LRRK2DYRK1A
SCHEMBL12343680 0.68 MAPK1 (0.52) LRRK2DYRK1APRKD3MAP4K4CLK2
SCHEMBL28520194 0.68 CHUK (0.65) GRM5LRRK2DYRK1APRKD3MAP4K4
Hydrochloric Acid SCHEMBL11469991 0.67 ADORA1 (0.48) NPC1ALDH1A1TP53LOXRAB9A
SCHEMBL20162906 0.67 LRRK2 (0.45) GRM5LRRK2DYRK1APRKD3MAP4K4

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-7838533-B2 Azaindole inhibitors of MTP and ApoB MERCK PATENT GMBH (DE) 2010-11-23 US disclosed
US-20090036481-A1 Novel Azaindole Inhibitors of Mtp and Apob MERCK PATENT GMBH (DE) 2009-02-05 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-20090036481-A1 Novel Azaindole Inhibitors of Mtp and Apob APOB, MTPN, HDLBP NPC1 46/4885ALDH1A1 3630/4885TP53 3084/4885

“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.