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SCHEMBL30450

SCHEMBL30450

C[C@@H]1CN(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c3c2C(=O)CCN3)C[C@H](C)O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ GAA P10253 1/20 0.37
▸ KDM4E B2RXH2 5/20 0.37
▸ TSHR P16473 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ MTOR P42345 3/20 0.36
▸ RPTOR Q8N122 2/20 0.36
▸ MLST8 Q9BVC4 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL10210944 0.86 MAPK1 (0.38) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL15026251 0.85 NPC1 (0.40) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL39766 0.83 NTRK1 (0.31) PIK3CA
SCHEMBL39794 0.83 WNT3A (0.37) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL10234775 0.82 NPC1 (0.45) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL10211443 0.81 MTOR (0.35) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL15026255 0.78 MTOR (0.43) MEN1KMT2AMTORRPTORMLST8
SCHEMBL30716 0.78 MTOR (0.43) MTORRPTORMLST8
SCHEMBL2725224 0.77 ADORA2A (0.42) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL45785 0.76 NPC1 (0.41) ALDH1A1MEN1KMT2AKDM4EHSD17B10

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 11 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
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-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
EP-2608668-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN Merck Sharp & Dohme Corp. (US) 2013-07-03 — — EP 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
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
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 ALDH1A1 4581/4885MEN1 3188/4885KMT2A 2748/4885

“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.