SCHEMBL2680252

SCHEMBL2680252

C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc([C@H]2CC[C@H](C(F)C(=O)O)CC2)nc2c(-c3ccc(-c4ncccn4)nc3)cnn12

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.34
HSD17B10 Q99714 4/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 5/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MTOR P42345 1/20 0.31
RPTOR Q8N122 1/20 0.31
MLST8 Q9BVC4 1/20 0.31
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
MAPK10 P53779 1/20 0.30

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
SCHEMBL2680249 1.00 DGAT1 (0.34) DGAT1HSD17B10KDM4EALDH1A1TSHR
SCHEMBL2680067 0.93 DGAT1 (0.41) DGAT1HSD17B10KDM4EALDH1A1TSHR
SCHEMBL2680071 0.93 DGAT1 (0.41) DGAT1HSD17B10KDM4EALDH1A1TSHR
SCHEMBL7874465 0.93 HSD17B10 (0.37) DGAT1HSD17B10KDM4EALDH1A1TSHR
SCHEMBL2680324 0.90 HSD17B10 (0.35) DGAT1HSD17B10KDM4EALDH1A1TSHR
SCHEMBL2680325 0.90 HSD17B10 (0.35) DGAT1HSD17B10KDM4EALDH1A1TSHR
SCHEMBL7875234 0.86 DGAT1 (0.42) DGAT1HSD17B10KDM4EALDH1A1TSHR
SCHEMBL2680922 0.84 DGAT1 (0.40) DGAT1HSD17B10KDM4EALDH1A1TSHR
SCHEMBL2680917 0.84 DGAT1 (0.40) DGAT1HSD17B10KDM4EALDH1A1TSHR
SCHEMBL594422 0.82 HSD17B10 (0.39) HSD17B10KDM4EALDH1A1TSHRMAPK1

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-8591943-B2 Pyrazolo[1,5-a]pyrimidine derivatives as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-26 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 (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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR DGAT1 3031/4885HSD17B10 3617/4885KDM4E 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.