SCHEMBL2906258

SCHEMBL2906258

COCCOc1cc(C)c(C#N)c(Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
KDM4E B2RXH2 10/20 0.40
GAA P10253 6/20 0.40
MAPT P10636 4/20 0.40
APOBEC3G Q9HC16 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
SQOR Q9Y6N5 1/20 0.38
POLB P06746 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 7/20 0.36
HTT P42858 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HPGD P15428 7/20 0.36
HSD17B10 Q99714 4/20 0.36
LMNA P02545 2/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL4071901 0.81 RECQL (0.67) RECQLL3MBTL1KDM4EGAAMAPT
SCHEMBL2908653 0.77 POLB (0.48) RECQLL3MBTL1KDM4EGAAMAPT
SCHEMBL4067248 0.76 RECQL (0.59) RECQLL3MBTL1KDM4EGAAMAPT
SCHEMBL9818229 0.74 SMN1; SMN2 (0.47) RECQLL3MBTL1KDM4EGAAMAPT
SCHEMBL2911052 0.74 L3MBTL1 (0.48) RECQLL3MBTL1KDM4EGAAMAPT
SCHEMBL8441200 0.72 KDM4E (0.42) RECQLL3MBTL1KDM4EGAAMAPT
SCHEMBL2908493 0.72 ALDH1A1 (0.42) L3MBTL1KDM4EGAAMAPTAPOBEC3G
SCHEMBL17164107 0.71 RECQL (0.70) RECQLL3MBTL1KDM4EGAAMEN1
SCHEMBL31587296 0.71 TSHR (0.40) L3MBTL1KDM4EGAAMAPTMEN1
SCHEMBL318407 0.70 KDM4E (0.60) RECQLL3MBTL1KDM4EGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071776-B2 Thienopyridines as allosteric potentiators of the M4 muscarinic receptor ELI LILLY AND COMPANY (US) 2011-12-06 US disclosed
EP-1807434-B1 THIENOPYRIDINES AS ALLOSTERIC POTENTIATORS OF THE M4 MUSCARINIC RECEPTOR LILLY CO ELI (US) 2010-08-25 EP disclosed
US-20090105244-A1 THIENOPYRIDINES AS ALLOSTERIC POTENTIATORS OF THE M4 MUSCARINIC RECEPTOR ELI LILLY AND COMPANY (US) 2009-04-23 US disclosed
EP-1807434-A1 THIENOPYRIDINES AS ALLOSTERIC POTENTIATORS OF THE M4 MUSCARINIC RECEPTOR ELI LILLY AND COMPANY (US) 2007-07-18 EP disclosed
WO-2006047124-A1 THIENOPYRIDINES AS ALLOSTERIC POTENTIATORS OF THE M4 MUSCARINIC RECEPTOR ELI LILLY AND COMPANY (US) 2006-05-04 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-20090105244-A1 THIENOPYRIDINES AS ALLOSTERIC POTENTIATORS OF THE M4 MUSCARINIC RECEPTOR CHRM2, CHRM4, CHRM1 RECQL 2814/4885L3MBTL1 3031/4885KDM4E 4056/4885

“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.