SCHEMBL1163733

SCHEMBL1163733

Clc1cnc(-n2cncn2)cn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PIM1 P11309 1/20 0.38
CYP2A6 P11509 1/20 0.38
KDM4E B2RXH2 4/20 0.37
MAPT P10636 3/20 0.37
POLB P06746 1/20 0.35
GLA P06280 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL12301439 0.77 KDM4E (0.41) MEN1KMT2APIM1CYP2A6KDM4E
SCHEMBL558692 0.73 PIM1 (0.38) MEN1KMT2APIM1CYP2A6KDM4E
SCHEMBL2848707 0.73 KDM4E (0.43) MEN1KMT2APIM1CYP2A6KDM4E
SCHEMBL12248371 0.73 CYP2A6 (0.39) MEN1KMT2APIM1CYP2A6KDM4E
SCHEMBL26945277 0.73 MAPT (0.43) MEN1KMT2APIM1CYP2A6KDM4E
SCHEMBL21764269 0.72 CYP2A6 (0.48) MEN1KMT2APIM1CYP2A6KDM4E
SCHEMBL30501290 0.72 CYP2A6 (0.48) MEN1KMT2APIM1CYP2A6KDM4E
SCHEMBL12350231 0.72 MAPT (0.42) MEN1KMT2APIM1KDM4EMAPT
SCHEMBL7227596 0.69 PANK3 (0.30)
SCHEMBL27345553 0.69 KDM4E (0.50) MEN1KMT2AKDM4EMAPTGLA

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 10 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
WO-2013055910-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2013-04-18 WO 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 MEN1 3169/4885KMT2A 4588/4885PIM1 4527/4885

“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.