SCHEMBL1163716

SCHEMBL1163716

Nc1cnc(-n2cnnn2)nc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.42
ALDH1A1 P00352 3/20 0.40
KCNJ1 P48048 10/20 0.40
MAPT P10636 2/20 0.38
F2 P00734 1/20 0.38
POLB P06746 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL17725605 0.79 NOTUM (0.52) NOTUMALDH1A1KCNJ1MAPTF2
SCHEMBL6244401 0.76 NOTUM (0.50) NOTUMALDH1A1KCNJ1MAPTF2
SCHEMBL1164007 0.75 KCNJ1 (0.58) NOTUMALDH1A1KCNJ1MAPTF2
SCHEMBL19398294 0.75 NOTUM (0.39) NOTUMALDH1A1KCNJ1MAPTF2
SCHEMBL17725686 0.74 KCNJ1 (0.40) NOTUMKCNJ1
SCHEMBL16866647 0.74 KCNJ1 (0.40) NOTUMKCNJ1
SCHEMBL29211840 0.74 NOTUM (0.43) NOTUMALDH1A1KCNJ1MAPTF2
SCHEMBL2289284 0.72 NOTUM (0.52) NOTUMALDH1A1KCNJ1MAPTF2
SCHEMBL16866646 0.72 KCNJ1 (0.37) NOTUMALDH1A1KCNJ1MAPTF2
SCHEMBL1165041 0.72 LMNA (0.47) NOTUMALDH1A1KCNJ1MAPTPOLB

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464228-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2017-12-06 EP disclosed
EP-2464228-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2017-12-06 EP disclosed
US-8552022-B2 Substituted cyclopropyl compounds, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
EP-2464228-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck Sharp & Dohme Corp. (US) 2012-06-20 EP disclosed
US-20120142706-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME LLC 2012-06-07 US disclosed
US-20120142706-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME LLC 2012-06-07 US disclosed
US-20120142706-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME LLC 2012-06-07 US disclosed
WO-2011019538-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2011-02-17 WO disclosed
WO-2011019538-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2011-02-17 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-20120142706-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR27, GCGR NOTUM 2671/4885ALDH1A1 2114/4885KCNJ1 1677/4885

“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.