SCHEMBL24045291

SCHEMBL24045291

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
P2RY12 Q9H244 3/20 0.37
OGA O60502 2/20 0.37
JMJD6 Q6NYC1 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ELANE P08246 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL26565248 0.82 HPGD (0.34) HRH3
SCHEMBL24050520 0.82 HCAR3 (0.40) KDM4EHSD17B10
SCHEMBL30314670 0.74 TDP1 (0.39) JMJD6KDM4ETP53HSD17B10NPSR1
SCHEMBL24045292 0.74 TDP1 (0.39) JMJD6KDM4ETP53HSD17B10NPSR1
SCHEMBL1232226 0.74 CYP2C9 (0.53) CYP2C19CYP2C9P2RY12CA12CA1
SCHEMBL17981666 0.71 RORC (0.46)
SCHEMBL24045338 0.71 PSMD14 (0.43) OGAJMJD6HRH3CA12CA1
SCHEMBL24050523 0.71 KMT2A (0.36) KMT2A
SCHEMBL11191801 0.70 CYP2C9 (0.51) CYP2C19CYP2C9P2RY12CA12CA1
SCHEMBL4065544 0.70 SYK (0.48) JMJD6CA12CA1CA2CA7

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 CYP2C19 549/4885CYP2C9 586/4885P2RY12 3698/4885
US-20210363147-A1 NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS DGAT2, DGAT1, ACAT2 CYP2C19 608/4885CYP2C9 578/4885P2RY12 3750/4885

“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.