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SCHEMBL600086

SCHEMBL600086

C=C(OCC)c1c(Oc2ccc(C(=O)OC)cc2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N(COCC[Si](C)(C)C)COCC[Si](C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 6/20 0.40
▸ SMN1; SMN2 Q16637 6/20 0.37
▸ ALDH1A1 P00352 5/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ NFKB1 P19838 2/20 0.34
▸ NFKB2 Q00653 2/20 0.34
▸ RELA Q04206 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ STAT1 P42224 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ TTK P33981 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
SCHEMBL600387 0.91 DGAT1 (0.39) DGAT1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL7874283 0.90 DGAT1 (0.40) DGAT1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL599621 0.88 DGAT1 (0.39) DGAT1SMN1; SMN2ALDH1A1HPGDTP53
SCHEMBL600087 0.87 DGAT1 (0.35) DGAT1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL583745 0.80 DGAT1 (0.40) DGAT1SMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL7881088 0.80 ALDH1A1 (0.38) DGAT1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL2679962 0.80 DGAT1 (0.38) DGAT1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL600388 0.80 DGAT1 (0.35) DGAT1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL1023125 0.79 DGAT1 (0.40) DGAT1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL618103 0.79 PIK3CD (0.39) DGAT1

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-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
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 — — US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 — — US disclosed
EP-2417138-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS Schering Corporation (US) 2012-02-15 — — EP disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 — — 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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR DGAT1 3031/4885SMN1; SMN2 1798/4885ALDH1A1 3479/4885

“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.