SCHEMBL1180784

SCHEMBL1180784

CC(C)(C)OC(=O)c1ccnn2c(-c3ccc(N)cc3)nnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
GRM6 O15303 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
ATR Q13535 1/20 0.32
AURKB Q96GD4 1/20 0.32
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
MAPT P10636 4/20 0.32
BRD9 Q9H8M2 1/20 0.32
KDM4E B2RXH2 3/20 0.32

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
SCHEMBL1180740 0.81 ALPL (0.36) CYP3A4CYP2C9CYP2C19MAPTKDM4E
SCHEMBL1180679 0.76 DDX3X (0.46) AURKBAKT1KDM4ETHRBDGAT1
SCHEMBL21798839 0.66 KDM4E (0.42) CYP1A2CYP3A4CYP2C9CYP2C19CA12
SCHEMBL8097425 0.65 CA12 (0.66) CYP1A2CYP3A4CYP2C9CYP2C19CA12
SCHEMBL9909930 0.65 NR1H2 (0.39) PIK3CAMTORPIK3CGATRAURKB
SCHEMBL3243857 0.64 ATR (0.42) CA12CA1CA2CA9CA14
SCHEMBL27497167 0.64 NOS3 (0.43) CA12CA1CA2CA9CA14
SCHEMBL31188312 0.64 KIF11 (0.44) CYP1A2CYP2C19CA12CA1CA2
SCHEMBL6705858 0.63 KMT2A (0.49) CYP2C9CYP2C19GRM6GAAMEN1
SCHEMBL6177925 0.63 CASP1 (0.41) CYP3A4CYP2C9CYP2C19GRM6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324241-B2 Triazolo compounds useful as DGAT1 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
US-8324241-B2 Triazolo compounds useful as DGAT1 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
US-8324241-B2 Triazolo compounds useful as DGAT1 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
US-20110034468-A1 TRIAZOLO COMPOUNDS USEFUL AS DGAT1 INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY 2011-02-10 US disclosed
US-20110034468-A1 TRIAZOLO COMPOUNDS USEFUL AS DGAT1 INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY 2011-02-10 US disclosed
US-20110034468-A1 TRIAZOLO COMPOUNDS USEFUL AS DGAT1 INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY 2011-02-10 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-20110034468-A1 TRIAZOLO COMPOUNDS USEFUL AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 CYP1A2 2093/4885CYP3A4 2792/4885CYP2C9 1868/4885

“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.