Sugi Predict

Sugi Predict / Compounds / SCHEMBL45386

SCHEMBL45386

SCHEMBL45386

C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c3c2C(=O)CCN3)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 12/20 0.41
▸ RPTOR Q8N122 2/20 0.41
▸ MLST8 Q9BVC4 2/20 0.41
▸ KDM5A P29375 1/20 0.36
▸ CHEK1 O14757 2/20 0.35
▸ CCNA2 P20248 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ CCNA1 P78396 2/20 0.35
▸ TTK P33981 1/20 0.35
▸ PIK3CA P42336 9/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ HTR2B P41595 1/20 0.34
▸ TYRO3 Q06418 1/20 0.33
▸ MERTK Q12866 1/20 0.33
▸ GUCY1A1 Q02108 1/20 0.33
▸ GUCY1B1 Q02153 1/20 0.33
▸ PRMT5 O14744 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
SCHEMBL17787556 0.91 MTOR (0.40) MTORRPTORMLST8KDM5ACHEK1
SCHEMBL40378 0.88 MTOR (0.42) MTORRPTORMLST8KDM5ACHEK1
SCHEMBL41441 0.88 MTOR (0.42) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL30716 0.86 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL15026255 0.86 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL45392 0.86 MTOR (0.40) MTORRPTORMLST8KDM5ACHEK1
SCHEMBL17787546 0.85 MTOR (0.42) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL41447 0.84 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL15007449 0.84 MTOR (0.42) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL42817 0.84 MTOR (0.43) MTORRPTORMLST8KDM5ACHEK1

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-2608668-B1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN MERCK SHARP & DOHME (US) 2016-06-01 — — EP disclosed
US-8703784-B2 Substituted pyrazolo[1,5-a]pyrido[3.2-e]pyrimidin-6-one inhibitors of mammalian target of rapamycin MERCK SHARP & DOHME CORP. (US) 2014-04-22 — — US disclosed
US-8703784-B2 Substituted pyrazolo[1,5-a]pyrido[3.2-e]pyrimidin-6-one inhibitors of mammalian target of rapamycin MERCK SHARP & DOHME CORP. (US) 2014-04-22 — — US disclosed
US-20130150353-A1 Fused Tricyclic Inhibitors of Mammalian Target of Rapamycin MERCK SHARP & DOHME LLC 2013-06-13 — — US disclosed
US-20130150353-A1 Fused Tricyclic Inhibitors of Mammalian Target of Rapamycin MERCK SHARP & DOHME LLC 2013-06-13 — — US disclosed
WO-2012027234-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN 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-20130150353-A1 Fused Tricyclic Inhibitors of Mammalian Target of Rapamycin MTOR, RICTOR, RPTOR MTOR 1/4885RPTOR 3/4885MLST8 5/4885

“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.