SCHEMBL10239403

SCHEMBL10239403

[2H]C(C(=O)OCC)C1([2H])CCC(c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4ccc(Cl)nc4)c3n2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.37
GPR119 Q8TDV5 4/20 0.35
KDM4E B2RXH2 6/20 0.35
L3MBTL1 Q9Y468 4/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
MAPK1 P28482 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTT P42858 1/20 0.32
CHEK1 O14757 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 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
SCHEMBL1073117 0.90 DGAT1 (0.41) DGAT1GPR119KDM4EL3MBTL1MAPT
SCHEMBL10239398 0.89 PIK3CA (0.35) DGAT1KDM4EL3MBTL1HSD17B10ALDH1A1
SCHEMBL10239397 0.86 KDM4E (0.38) DGAT1KDM4EHSD17B10
SCHEMBL7874777 0.86 KDM4E (0.38) DGAT1GPR119KDM4EL3MBTL1MAPT
SCHEMBL10277523 0.85 DGAT1 (0.37) DGAT1GPR119KDM4EMAPTHSD17B10
SCHEMBL10328253 0.85 KDM4E (0.37) DGAT1KDM4EHSD17B10
SCHEMBL2680193 0.84 DGAT1 (0.40) DGAT1GPR119KDM4EMAPTMEN1
SCHEMBL10239389 0.84 DGAT1 (0.40) DGAT1GPR119KDM4EMAPTMEN1
SCHEMBL6889797 0.84 CHEK1 (0.34) DGAT1GPR119KDM4EL3MBTL1MAPT
SCHEMBL10277919 0.84 DGAT1 (0.41) DGAT1GPR119KDM4EKMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 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 (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-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MTOR, RICTOR, RPTOR DGAT1 3898/4885GPR119 1795/4885KDM4E 799/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR DGAT1 3031/4885GPR119 807/4885KDM4E 1448/4885

“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.