SCHEMBL2913202

SCHEMBL2913202

Cc1c(Cl)c(OC(C)C)nc(Cl)c1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HTT P42858 5/20 0.40
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GLA P06280 2/20 0.39
TSHR P16473 1/20 0.39
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
GAA P10253 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
NSD2 O96028 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP1A2 P05177 3/20 0.33
CNR1 P21554 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
SCHEMBL2912098 0.87 HTT (0.39) ALDH1A1HTTKDM4EKMT2AMEN1
SCHEMBL2905211 0.81 ALDH1A1 (0.50) ALDH1A1HTTKDM4EKMT2AMEN1
SCHEMBL2910641 0.74 ALDH1A1 (0.59) ALDH1A1HTTKDM4EKMT2AMEN1
SCHEMBL2908493 0.73 ALDH1A1 (0.42) ALDH1A1HTTKDM4EKMT2AMEN1
SCHEMBL29799018 0.72 KMT2A (0.61) ALDH1A1HTTKDM4EKMT2AMEN1
SCHEMBL8471830 0.72 KMT2A (0.61) ALDH1A1HTTKDM4EKMT2AMEN1
SCHEMBL13329219 0.71 ALDH1A1 (0.72) ALDH1A1HTTKDM4EKMT2AMEN1
SCHEMBL2911052 0.69 L3MBTL1 (0.48) ALDH1A1HTTKDM4EKMT2AMEN1
SCHEMBL2906353 0.69 RECQL (0.45) ALDH1A1KDM4EKMT2AMEN1GLA
SCHEMBL11091496 0.68 MAPK8 (0.35) HTTKDM4EMAPK8MAPK9GAA

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 ALDH1A1 2594/4885HTT 2251/4885KDM4E 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.