SCHEMBL2912098

SCHEMBL2912098

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GLA P06280 2/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
KDM4E B2RXH2 3/20 0.36
LMNA P02545 1/20 0.34
GAA P10253 3/20 0.33
CYP1A2 P05177 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
THRB P10828 1/20 0.31
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31

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
SCHEMBL2913202 0.87 ALDH1A1 (0.46) HTTMEN1KMT2AGLATSHR
SCHEMBL2910641 0.74 ALDH1A1 (0.59) HTTMEN1KMT2AGLATSHR
SCHEMBL2910529 0.73 SQOR (0.41) HTTMEN1KMT2AGLATSHR
SCHEMBL2906353 0.72 RECQL (0.45) MEN1KMT2AGLATSHRALDH1A1
SCHEMBL2905211 0.70 ALDH1A1 (0.50) HTTMEN1KMT2AGLATSHR
SCHEMBL11100290 0.69 KMT2A (0.44) HTTMEN1KMT2AGLATSHR
SCHEMBL11091496 0.68 MAPK8 (0.35) HTTMAPK8MAPK9KDM4ELMNA
SCHEMBL27876511 0.67 LMNA (0.39) HTTMEN1KMT2ATSHRMAPK8
SCHEMBL2911052 0.66 L3MBTL1 (0.48) HTTMEN1KMT2AGLATSHR
SCHEMBL8471830 0.65 KMT2A (0.61) HTTMEN1KMT2AGLATSHR

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 3 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

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 HTT 2251/4885MEN1 1436/4885KMT2A 3096/4885

“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.