SCHEMBL20167005

SCHEMBL20167005

COC(=O)c1ccc2cnn(-c3ccc(F)cc3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.59
CYP11B2 P19099 2/20 0.59
CCR1 P32246 1/20 0.53
SMO Q99835 7/20 0.47
NR3C1 P04150 4/20 0.46
KHK P50053 2/20 0.46
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
MTOR P42345 1/20 0.45
MAPK1 P28482 2/20 0.45
IRAK4 Q9NWZ3 1/20 0.45

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
SCHEMBL1363389 0.90 CYP11B1 (0.69) CYP11B1CYP11B2CCR1SMONR3C1
SCHEMBL347030 0.88 TDP1 (0.49) CYP11B1CYP11B2CCR1SMOKHK
SCHEMBL1361914 0.82 CYP11B1 (0.54) CYP11B1CYP11B2CCR1SMONR3C1
SCHEMBL29810375 0.79 CCR1 (0.52) CYP11B1CYP11B2CCR1SMOPIK3CD
SCHEMBL30614188 0.79 BRD4 (0.51) CYP11B1CYP11B2MAPK1
SCHEMBL25413272 0.79 BRD4 (0.51) CYP11B1CYP11B2MAPK1
SCHEMBL23449651 0.79 CCR1 (0.52) CYP11B1CYP11B2CCR1SMOPIK3CD
SCHEMBL3666316 0.79 CYP11B1 (0.54) CYP11B1CYP11B2CCR1KHK
SCHEMBL348090 0.78 CYP11B1 (0.57) CYP11B1CYP11B2SMONR3C1
SCHEMBL25412600 0.77 KDM5A (0.43) CYP11B1CYP11B2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190330239-A1 INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 MERCK SHARP & DOHME CORP. (US) 2019-10-31 US disclosed
US-20190330239-A1 INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 MERCK SHARP & DOHME CORP. (US) 2019-10-31 US disclosed
EP-3541374-A1 INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 Merck Sharp & Dohme Corp. (US) 2019-09-25 EP disclosed
WO-2018093696-A1 INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 MERCK SHARP & DOHME CORP. (US) 2018-05-24 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 (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-20190330239-A1 INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 DGAT2, DGAT1, MOGAT2 CYP11B1 312/4885CYP11B2 251/4885CCR1 4311/4885

“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.