Sugi Predict

Sugi Predict / Compounds / SCHEMBL22266

SCHEMBL22266

SCHEMBL22266

C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc([C@H]2CC[C@](O)(CCO)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 4/20 0.37
▸ CHEK1 O14757 3/20 0.35
▸ CCNA2 P20248 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ CCNA1 P78396 2/20 0.35
▸ MTOR P42345 3/20 0.33
▸ RPTOR Q8N122 3/20 0.33
▸ MLST8 Q9BVC4 3/20 0.33
▸ MAPT P10636 6/20 0.33
▸ NPC1 O15118 5/20 0.33
▸ RAB9A P51151 5/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MAPK1 P28482 3/20 0.33
▸ STAT1 P42224 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ NR2F2 P24468 1/20 0.32
▸ KDM4E B2RXH2 2/20 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
SCHEMBL15007488 1.00 DGAT1 (0.37) DGAT1CHEK1CCNA2CDK2CCNA1
SCHEMBL15007489 1.00 DGAT1 (0.37) DGAT1CHEK1CCNA2CDK2CCNA1
SCHEMBL15007079 0.94 DGAT1 (0.38) DGAT1CHEK1CCNA2CDK2CCNA1
SCHEMBL22758 0.94 DGAT1 (0.38) DGAT1CHEK1CCNA2CDK2CCNA1
SCHEMBL15031603 0.94 DGAT1 (0.38) DGAT1CHEK1CCNA2CDK2CCNA1
SCHEMBL15031630 0.93 DGAT1 (0.38) DGAT1CHEK1CCNA2CDK2CCNA1
SCHEMBL15031634 0.93 DGAT1 (0.38) DGAT1CHEK1CCNA2CDK2CCNA1
SCHEMBL15031584 0.93 DGAT1 (0.38) DGAT1CHEK1CCNA2CDK2CCNA1
SCHEMBL15007232 0.91 DGAT1 (0.38) DGAT1CHEK1CCNA2CDK2CCNA1
SCHEMBL15032955 0.91 DGAT1 (0.38) DGAT1CHEK1CCNA2CDK2CCNA1

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
EP-2608669-B1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME (US) 2016-06-22 — — EP disclosed
US-8883801-B2 Substituted pyrazolo[1,5-a]pyrimidines as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2014-11-11 — — US disclosed
US-8883801-B2 Substituted pyrazolo[1,5-a]pyrimidines as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2014-11-11 — — US disclosed
US-20130150362-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-06-13 — — US disclosed
US-20130150362-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-06-13 — — US disclosed
WO-2012027236-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS SCHERING CORPORATION (US) 2012-03-01 — — 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-20130150362-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RPS6KA5, PAK5 DGAT1 1920/4885CHEK1 591/4885CCNA2 2405/4885

“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.