SCHEMBL2908653

SCHEMBL2908653

COCCOc1nc(Cl)cc(C)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.48
SQOR Q9Y6N5 1/20 0.45
RECQL P46063 2/20 0.45
ALDH1A1 P00352 7/20 0.40
HPGD P15428 5/20 0.40
GAA P10253 4/20 0.40
TSHR P16473 3/20 0.40
MAPK1 P28482 1/20 0.40
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 1/20 0.38
KDM4E B2RXH2 4/20 0.38
LMNA P02545 2/20 0.38
HIF1A Q16665 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
USP8 P40818 1/20 0.37
MAPK8 P45983 1/20 0.36
MAPK9 P45984 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
SCHEMBL4071963 0.81 RECQL (0.67) POLBSQORRECQLALDH1A1HPGD
SCHEMBL2906258 0.77 RECQL (0.45) POLBSQORRECQLALDH1A1HPGD
SCHEMBL2910529 0.75 SQOR (0.41) POLBSQORALDH1A1HPGDGAA
SCHEMBL2906353 0.74 RECQL (0.45) POLBRECQLALDH1A1HPGDGAA
SCHEMBL1145819 0.72 MAPK8 (0.48) SQORALDH1A1HPGDGAAMAPK1
SCHEMBL2908493 0.72 ALDH1A1 (0.42) SQORALDH1A1HPGDGAATSHR
SCHEMBL17164107 0.71 RECQL (0.70) POLBSQORRECQLALDH1A1HPGD
SCHEMBL31586529 0.71 TSHR (0.47) POLBSQORHPGDTSHRKDM4E
SCHEMBL29496331 0.70 L3MBTL1 (0.57) POLBRECQLALDH1A1HPGDGAA
SCHEMBL10074682 0.70 KDM4E (0.46) POLBRECQLALDH1A1HPGDGAA

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 POLB 3715/4885SQOR 1630/4885RECQL 2814/4885

“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.