SCHEMBL2417201

SCHEMBL2417201

N#Cc1c(N)cccc1-c1ccsc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.49
ADORA2A P29274 2/20 0.49
RET P07949 7/20 0.43
FLT4 P35916 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
CSNK2A1 P68400 1/20 0.40
DYRK1A Q13627 1/20 0.40
AURKB Q96GD4 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
KCNH2 Q12809 1/20 0.40
TDO2 P48775 1/20 0.39
PDE3A Q14432 1/20 0.39
CYP2A6 P11509 2/20 0.37
CYP2E1 P05181 1/20 0.37
CYP2B6 P20813 1/20 0.37
ABL1 P00519 1/20 0.37
ALK Q9UM73 1/20 0.37
LRRK2 Q5S007 1/20 0.37
PRMT6 Q96LA8 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
SCHEMBL9359308 0.81 LRRK2 (0.43) ADORA1ADORA2ARETTDO2PDE3A
SCHEMBL1154483 0.80 ADORA1 (0.42) ADORA1ADORA2ARETCYP2A6CYP2E1
SCHEMBL1502535 0.77 ALDH1A1 (0.56) ADORA1ADORA2A
SCHEMBL15366094 0.77 KCNH2 (0.46) ADORA1ADORA2AKCNH2TDO2CYP2A6
SCHEMBL5190739 0.76 ALDH1A1 (0.54) ADORA1ADORA2AKCNH2TDO2CYP2A6
SCHEMBL2417722 0.74 ADORA1 (0.39) ADORA1ADORA2ARETFLT4MAPK8
SCHEMBL28273603 0.74 KCNH2 (0.43) ADORA1ADORA2AKCNH2TDO2CYP2A6
SCHEMBL1155378 0.73 ADORA1 (0.37) ADORA1ADORA2ARETFLT4MAPK8
SCHEMBL3854801 0.73 KDM4E (0.52) ADORA1ADORA2ARET
SCHEMBL2651715 0.72 ADORA1 (0.50) ADORA1ADORA2ARETMAPK8MAPK9

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110115365-A The adjusting that actinism receptor and relative ligand are carried out 西诺米克斯公司 2019-08-13 CN disclosed
EP-2573559-B1 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC (US) 2019-03-13 EP disclosed
EP-2062050-B1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC (US) 2016-05-18 EP disclosed
US-9181276-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX, INC. (US) 2015-11-10 US disclosed
US-20140235623-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2014-08-21 US disclosed
US-8633186-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC. (US) 2014-01-21 US disclosed
EP-2573559-A1 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-27 EP disclosed
EP-2568287-A2 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-13 EP disclosed
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC. (US) 2011-09-15 US disclosed
CN-101779124-A modulation of chemosensory receptors and ligands associated therewith SENOMYX INC 2010-07-14 CN disclosed
EP-2062050-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH Senomyx, Inc. (US) 2009-05-27 EP disclosed
WO-2008154221-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-18 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 (2 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-20140235623-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 ADORA1 584/4885ADORA2A 569/4885RET 341/4885
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 ADORA1 584/4885ADORA2A 569/4885RET 341/4885

“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.