SCHEMBL2911052

SCHEMBL2911052

Cc1cc(OC(C)C)nc(Cl)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
RECQL P46063 2/20 0.45
HTT P42858 2/20 0.39
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
POLB P06746 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
TSHR P16473 3/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 2/20 0.34
XBP1 P17861 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 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
SCHEMBL4071901 0.81 RECQL (0.67) L3MBTL1RECQLKDM4EALDH1A1KMT2A
SCHEMBL4067248 0.76 RECQL (0.59) L3MBTL1RECQLKDM4EALDH1A1KMT2A
SCHEMBL2906353 0.74 RECQL (0.45) L3MBTL1RECQLKDM4EALDH1A1KMT2A
SCHEMBL2906258 0.74 RECQL (0.45) L3MBTL1RECQLHTTKDM4EALDH1A1
SCHEMBL29496331 0.73 L3MBTL1 (0.57) L3MBTL1RECQLHTTKDM4EALDH1A1
SCHEMBL29420807 0.73 KDM4E (0.60) L3MBTL1RECQLHTTKDM4EALDH1A1
SCHEMBL318407 0.73 KDM4E (0.60) L3MBTL1RECQLHTTKDM4EALDH1A1
SCHEMBL534956 0.73 L3MBTL1 (0.57) L3MBTL1RECQLHTTKDM4EALDH1A1
SCHEMBL17164107 0.72 RECQL (0.70) L3MBTL1RECQLKDM4EALDH1A1KMT2A
SCHEMBL3828701 0.70 L3MBTL1 (0.54) L3MBTL1RECQLHTTKDM4EALDH1A1

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 L3MBTL1 3031/4885RECQL 2814/4885HTT 2251/4885

“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.