SCHEMBL12872767

SCHEMBL12872767

CCOC(=O)c1cccn2c(-c3ccc(NC(=O)OC)cc3)nnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ AKT2 P31751 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ DDX3X O00571 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ACR P10323 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39

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
SCHEMBL1180750 0.89 MAPT (0.51) KDM4EHSD17B10SMN1; SMN2KMT2ANPC1
SCHEMBL1180453 0.86 HPGD (0.41) KDM4EALOX15HSD17B10SMN1; SMN2KMT2A
SCHEMBL12872721 0.85 CA12 (0.48) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL1180890 0.83 ALDH1A1 (0.46) KDM4EALOX15HSD17B10AKT1AKT2
SCHEMBL1179940 0.82 BRD4 (0.43) MAPT
SCHEMBL1180881 0.79 P2RY1 (0.45) MAPTCA12CA1CA2CA9
SCHEMBL1180765 0.79 MAPT (0.41) KDM4EALOX15HSD17B10AKT1AKT2
SCHEMBL12872776 0.76 MAPT (0.54) KDM4EHSD17B10AKT1SMN1; SMN2KMT2A
SCHEMBL1179762 0.76 BRD9 (0.44) —
SCHEMBL1181486 0.75 DGAT1 (0.46) KMT2AALDH1A1CYP2C9CYP2C19

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 KDM4E 4232/4885ALOX15 1290/4885HSD17B10 321/4885

“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.

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