SCHEMBL1180414

SCHEMBL1180414

O=C(Nc1ccc(-c2nnc3c(C(=O)O)cccn23)cc1)Nc1ccccc1OC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 5/20 0.47
▸ KIT P10721 1/20 0.47
▸ FLT3 P36888 1/20 0.47
▸ DGAT1 O75907 1/20 0.46
▸ P2RY1 P47900 9/20 0.45
▸ IDH1 O75874 1/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ EGFR P00533 3/20 0.41
▸ FGFR1 P11362 3/20 0.41
▸ IDO1 P14902 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL12872730 0.89 DGAT1 (0.44) KDRKITFLT3DGAT1P2RY1
SCHEMBL1180881 0.88 P2RY1 (0.45) KDRKITFLT3DGAT1P2RY1
SCHEMBL12872589 0.87 NAMPT (0.42) KDRKITFLT3DGAT1P2RY1
SCHEMBL12872751 0.87 DGAT1 (0.50) KDRKITFLT3DGAT1P2RY1
SCHEMBL12872735 0.87 DGAT1 (0.50) KDRKITFLT3DGAT1P2RY1
SCHEMBL12872600 0.86 DGAT1 (0.46) KDRKITFLT3DGAT1P2RY1
SCHEMBL13666000 0.86 DGAT1 (0.46) KDRKITFLT3DGAT1P2RY1
SCHEMBL13665289 0.86 NAMPT (0.44) KDRKITFLT3DGAT1P2RY1
SCHEMBL12872577 0.86 NAMPT (0.43) KDRKITFLT3DGAT1P2RY1
SCHEMBL1180647 0.86 KDR (0.47) KDRKITFLT3DGAT1P2RY1

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 5 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-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
WO-2009126624-A1 TRIAZOLO COMPOUNDS USEFUL AS DGAT1 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-15 — — 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-20110034468-A1 TRIAZOLO COMPOUNDS USEFUL AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 KDR 3540/4885KIT 4786/4885FLT3 3045/4885

“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.

Send feedback