SCHEMBL30250

SCHEMBL30250

CC(NC1CCOCC1)c1cc(N)n2ncc(-c3cnc4ccc(F)cc4c3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NTRK1 P04629 2/20 0.37
MET P08581 3/20 0.37
OPRK1 P41145 2/20 0.35
TNIK Q9UKE5 1/20 0.35
MAPK1 P28482 4/20 0.34
MAP4K4 O95819 2/20 0.34
AOC3 Q16853 2/20 0.34
CYP11B2 P19099 1/20 0.34
GAK O14976 1/20 0.34
RPS6KA4 O75676 1/20 0.34
PRKD3 O94806 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34

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
SCHEMBL10235010 0.92 OPRK1 (0.36) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL595888 0.84 NTRK1 (0.36) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL17787554 0.84 MEN1 (0.40) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL31400 0.82 TTK (0.39) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL15026310 0.82 TTK (0.39) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL29141 0.81 NTRK1 (0.32) NTRK1METOPRK1MAPK1MAP4K4
SCHEMBL17787574 0.81 KMT2A (0.50) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL10239331 0.80 MET (0.37) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL17787560 0.80 KMT2A (0.49) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL30715 0.79 TTK (0.38) MAPK1MAPK14

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 17 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
US-8591943-B2 Pyrazolo[1,5-a]pyrimidine derivatives as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-26 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
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
WO-2012027234-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN SCHERING CORPORATION (US) 2012-03-01 WO 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
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 (2 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 MEN1 3188/4885NPC1 245/4885RAB9A 523/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR MEN1 1398/4885NPC1 348/4885RAB9A 720/4885

“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.