SCHEMBL26565248

SCHEMBL26565248

CC(=O)c1cnc2c(Br)nn(C(C)C)c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.34
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
SRC P12931 3/20 0.33
PIK3CD O00329 2/20 0.33
ABL1 P00519 2/20 0.33
EGFR P00533 2/20 0.33
HCK P08631 2/20 0.33
KDR P35968 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CB P42338 2/20 0.33
MTOR P42345 2/20 0.33
PIK3CG P48736 2/20 0.33
EPHB4 P54760 2/20 0.33
PRKDC P78527 2/20 0.33
PI4KB Q9UBF8 2/20 0.33
NLRP3 Q96P20 1/20 0.32
PDE5A O76074 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
SLC22A12 Q96S37 1/20 0.30

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
SCHEMBL24050520 0.89 HCAR3 (0.40) HPGDHCAR3HCAR2NLRP3SLC22A12
SCHEMBL24045291 0.82 CYP2C19 (0.41) HRH3
SCHEMBL24050523 0.76 KMT2A (0.36)
SCHEMBL24045339 0.71 RORC (0.47) HPGDHCAR3HCAR2SLC22A12
SCHEMBL9193957 0.69 CA5A (0.37)
SCHEMBL24045338 0.69 PSMD14 (0.43) HPGDHRH3
SCHEMBL570336 0.66 PDE1A (0.40) KDRMTOR
SCHEMBL16409134 0.66 ADORA3 (0.55) SRCPIK3CDABL1EGFRHCK
SCHEMBL7588782 0.64 RAB9A (0.36)
SCHEMBL347829 0.64 KDM4E (0.42) HPGDNLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787810-B2 Diacylglyceride O-acyltransferase 2 inhibitors MERCK SHARP & DOHME LLC (US) 2023-10-17 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-11787810-B2 Diacylglyceride O-acyltransferase 2 inhibitors DGAT2, DGAT1, ACAT2 HPGD 553/4885HCAR3 3369/4885HCAR2 1100/4885

“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.