SCHEMBL40156

SCHEMBL40156

Nc1ncc(-c2cccc(C(F)(F)F)c2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.49
ADORA1 P30542 2/20 0.49
SCN2A Q99250 2/20 0.48
HDAC6 Q9UBN7 1/20 0.47
HRH1 P35367 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
CSNK2A1 P68400 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
IDO1 P14902 1/20 0.45
DYRK1A Q13627 2/20 0.45
DYRK2 Q92630 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
ATM Q13315 1/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
HSD17B10 Q99714 1/20 0.45
IKBKB O14920 1/20 0.44
BRD4 O60885 1/20 0.44

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
SCHEMBL25318136 0.85 CSNK2A1 (0.54) HDAC6CSNK2A1ALDH1A1CDK2NOS3
SCHEMBL1764981 0.81 ALDH1A1 (0.48) SCN2AHDAC6HRH1HRH4IDO1
SCHEMBL29393032 0.80 KDM4E (0.54) CSNK2A1IDO1ALDH1A1NPC1MAPT
SCHEMBL2406300 0.80 KDM4E (0.54) CSNK2A1IDO1ALDH1A1NPC1MAPT
SCHEMBL12601168 0.80 MAP4K4 (0.53) CSNK2A1TSHRALDH1A1GAAPKM
SCHEMBL69900 0.79 CSNK2A1 (0.62) CSNK2A1ALDH1A1IKBKBNPC1MAPT
SCHEMBL13018928 0.78 ALDH1A1 (0.49) ADORA2AADORA1SCN2AHDAC6HRH1
SCHEMBL40313 0.77 FEN1 (0.55) ADORA2AADORA1SCN2AHRH1HRH4
SCHEMBL1198760 0.77 LOXL2 (0.48) SCN2AHDAC6HRH1HRH4IDO1
SCHEMBL5358364 0.77 KCNH2 (0.52) ADORA2AADORA1SCN2ACSNK2A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109415371-A Novel 2-acylamino thiazole derivative and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2019-03-01 CN disclosed
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed
US-9289430-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-03-22 US disclosed
EP-2590655-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2015-06-24 EP disclosed
US-20150164904-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 US disclosed
US-8815910-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-08-26 US disclosed
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 US disclosed
US-20130336921-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2013-12-19 US disclosed
EP-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
EP-2590655-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012006473-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed
WO-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 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 (3 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-20150164904-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A1 ADORA2A 372/4885ADORA1 291/4885SCN2A 1126/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 ADORA2A 665/4885ADORA1 558/4885SCN2A 1655/4885
US-20130336921-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A1 ADORA2A 372/4885ADORA1 291/4885SCN2A 1126/4885

“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.