SCHEMBL2906353

SCHEMBL2906353

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.45
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
POLB P06746 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
TSHR P16473 3/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 3/20 0.39
CYP3A4 P08684 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 4/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.34
HSD17B10 Q99714 2/20 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
SCHEMBL4071963 0.81 RECQL (0.67) RECQLMAPK8MAPK9POLBSMN1; SMN2
SCHEMBL2911052 0.74 L3MBTL1 (0.48) RECQLMAPK8MAPK9POLBSMN1; SMN2
SCHEMBL3832490 0.74 KDM4E (0.43) RECQLPOLBSMN1; SMN2TSHRMAPK1
SCHEMBL2908653 0.74 POLB (0.48) RECQLMAPK8MAPK9POLBSMN1; SMN2
SCHEMBL10074682 0.73 KDM4E (0.46) RECQLPOLBSMN1; SMN2TSHRMAPK1
SCHEMBL534956 0.73 L3MBTL1 (0.57) RECQLPOLBSMN1; SMN2CYP1A2CYP2C19
SCHEMBL29496331 0.73 L3MBTL1 (0.57) RECQLPOLBSMN1; SMN2CYP1A2CYP2C19
SCHEMBL2912098 0.72 HTT (0.39) MAPK8MAPK9SMN1; SMN2CYP1A2CYP2C19
SCHEMBL17164107 0.72 RECQL (0.70) RECQLMAPK8MAPK9POLBSMN1; SMN2
SCHEMBL11845115 0.70 KDM4E (0.67) RECQLPOLBCYP1A2CYP2C19TSHR

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 2814/4885MAPK8 3514/4885MAPK9 2833/4885

“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.