SCHEMBL24045192

SCHEMBL24045192

COC(=O)c1cc(C#N)c2c(I)n[nH]c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 2/20 0.38
GAA P10253 2/20 0.36
KDM4E B2RXH2 7/20 0.36
ALDH1A1 P00352 4/20 0.36
EGLN2 Q96KS0 1/20 0.35
TRPA1 O75762 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
LMNA P02545 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HTT P42858 1/20 0.34
POLB P06746 2/20 0.34
NFKB1 P19838 1/20 0.34
XDH P47989 1/20 0.34
GFER P55789 1/20 0.34
NFKB2 Q00653 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
SCHEMBL15568575 0.80 MAP2K4 (0.43) MAP2K4GAAKDM4EALDH1A1CA12
SCHEMBL24045193 0.73 TDO2 (0.47) MAP2K4GAAKDM4EALDH1A1EGLN2
SCHEMBL9475996 0.72 KDM4E (0.48) GAAKDM4EALDH1A1CA12CA1
SCHEMBL29877970 0.72 MAPK1 (0.42) GAAKDM4EALDH1A1EGLN2CA12
SCHEMBL15970661 0.72 XDH (0.45) GAAKDM4EALDH1A1CA12CA1
SCHEMBL15417877 0.71 KDM4E (0.38) MAP2K4GAAKDM4EALDH1A1CA12
SCHEMBL31313057 0.71 MAP2K1 (0.35)
SCHEMBL2671519 0.71 MAP2K4 (0.54) MAP2K4GAAKDM4EALDH1A1CA12
SCHEMBL30159476 0.71 MAP2K4 (0.54) MAP2K4GAAKDM4EALDH1A1CA12
SCHEMBL30740886 0.70 KDM4E (0.57) GAAKDM4EALDH1A1CA12CA1

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
US-11787810-B2 Diacylglyceride O-acyltransferase 2 inhibitors MERCK SHARP & DOHME LLC (US) 2023-10-17 US disclosed
US-20210363147-A1 NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-11-25 US disclosed
WO-2021236401-A1 NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-11-25 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 (2 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 MAP2K4 3029/4885GAA 149/4885KDM4E 2205/4885
US-20210363147-A1 NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS DGAT2, DGAT1, ACAT2 MAP2K4 2782/4885GAA 192/4885KDM4E 2148/4885

“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.