SCHEMBL3513838

SCHEMBL3513838

Cc1csc(CNC(=O)c2cc(C(N)=O)cc(-c3cnccn3)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
NAMPT P43490 1/20 0.40
SLC5A7 Q9GZV3 1/20 0.39
HSP90AA1 P07900 1/20 0.38
WDR5 P61964 2/20 0.38
KLKB1 P03952 1/20 0.38
KLK1 P06870 1/20 0.38
ROCK2 O75116 1/20 0.37
GRK2 P25098 1/20 0.37
TSHR P16473 1/20 0.37
SYK P43405 1/20 0.37
CHRM4 P08173 1/20 0.37
WNT3A P56704 1/20 0.36

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
SCHEMBL2711113 0.87 NAMPT (0.47) MAPK1RAB9ANPC1KDM4EGAA
SCHEMBL3509630 0.86 ADORA2A (0.46) MAPK1RAB9ANPC1KDM4ENAMPT
SCHEMBL3686716 0.85 RAB9A (0.48) MAPK1RAB9ANPC1GAANAMPT
SCHEMBL3511082 0.84 RAB9A (0.43) MAPK1RAB9ANPC1GAANAMPT
SCHEMBL3509902 0.84 TSHR (0.46) RAB9ANPC1NAMPTSLC5A7HSP90AA1
SCHEMBL3510035 0.80 RAB9A (0.40) MAPK1RAB9ANPC1NAMPTSLC5A7
SCHEMBL3508887 0.80 MAPK1 (0.41) MAPK1RAB9ANPC1NAMPTSLC5A7
SCHEMBL3647405 0.78 ENPP2 (0.52) RAB9ANPC1KDM4EGAANAMPT
SCHEMBL3511239 0.74 SLC5A7 (0.46) RAB9ANPC1KDM4ENAMPTSLC5A7
SCHEMBL3509460 0.73 SLC5A7 (0.45) RAB9ANPC1KDM4ENAMPTSLC5A7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178837-A2 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-04-28 EP claimed
WO-2009015369-A2 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2009-01-29 WO claimed
US-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-11-11 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-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY BACE1, BACE2, APP MAPK1 3920/4885RAB9A 3199/4885NPC1 204/4885

“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.