SCHEMBL16675838

SCHEMBL16675838

COc1ncc(-c2cccc(CO)n2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.46
FTO Q9C0B1 3/20 0.41
KCNH2 Q12809 2/20 0.39
KCNA5 P22460 1/20 0.39
F2RL3 Q96RI0 1/20 0.38
TRPV3 Q8NET8 2/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
GRM5 P41594 1/20 0.35
MTOR P42345 4/20 0.35
PIK3CA P42336 3/20 0.35
HDAC8 Q9BY41 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
ALKBH5 Q6P6C2 1/20 0.34
JAK1 P23458 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
AOC3 Q16853 1/20 0.34

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
SCHEMBL19582908 0.80 SCN9A (0.41) SCN9ATRPV3IRAK4
SCHEMBL16675837 0.78 NPC1 (0.49) PIK3CAMEN1MAPTKMT2A
SCHEMBL19582895 0.77 MAOB (0.32) SCN9ATRPV3IRAK4MEN1KMT2A
SCHEMBL13680586 0.77 CCR1 (0.52) SCN9AFTOGRM5PIK3CAMEN1
SCHEMBL19582795 0.76 SCN9A (0.39) SCN9ATRPV3IRAK4
SCHEMBL23243810 0.76 FTO (0.41) SCN9AFTOKCNH2GRM5MTOR
SCHEMBL19582796 0.74 ACACB (0.37) SCN9ATRPV3IRAK4
SCHEMBL5681150 0.74 HDAC8 (0.49) HDAC8MAPTTSHR
SCHEMBL11485889 0.74 ALDH1A1 (0.52) MEN1MAPTTSHRKMT2AATM
SCHEMBL16675836 0.73 CYP2A6 (0.41) SCN9ATRPV3IRAK4GRM5MEN1

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-2855489-B1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL MYERS SQUIBB CO (US) 2017-01-04 EP disclosed
US-9518064-B2 Imidazothiadiazole and imidazopyridazine derivatives as protease activated receptor 4 (PAR4) inhibitors for treating platelet aggregation BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-13 US disclosed
US-9518064-B2 Imidazothiadiazole and imidazopyridazine derivatives as protease activated receptor 4 (PAR4) inhibitors for treating platelet aggregation BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-13 US disclosed
US-20150119390-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL-MYERS SQUIBB COMPANY 2015-04-30 US disclosed
US-20150119390-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL-MYERS SQUIBB COMPANY 2015-04-30 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-20150119390-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION F2RL3, F2R, F2RL1 SCN9A 3278/4885FTO 4732/4885KCNH2 3395/4885

“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.