SCHEMBL39893

SCHEMBL39893

Cc1cccc(CNc2cc(-c3cc(N4CCCCC4)ccc3N)ncn2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 16/20 0.58
CYP2C19 P33261 16/20 0.58
CYP3A4 P08684 14/20 0.58
CYP2D6 P10635 12/20 0.58
TSHR P16473 10/20 0.58
MAPK1 P28482 10/20 0.58
HPGD P15428 7/20 0.58
ALDH1A1 P00352 7/20 0.58
TDP1 Q9NUW8 3/20 0.58
ALOX15 P16050 2/20 0.58
CLK4 Q9HAZ1 9/20 0.56
LMNA P02545 3/20 0.54
HSD17B10 Q99714 8/20 0.52
KDM4E B2RXH2 7/20 0.52
CDC7 O00311 1/20 0.51
ROCK2 O75116 1/20 0.51
PIM1 P11309 1/20 0.51
PRKACA P17612 1/20 0.51
CDK2 P24941 1/20 0.51
GSK3B P49841 1/20 0.51

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
SCHEMBL39775 0.86 CLK4 (0.53) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL46429 0.84 CYP1A2 (0.53) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL15432593 0.81 CYP1A2 (0.69) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL40499 0.74 CYP1A2 (0.42) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL4774036 0.72 CYP1A2 (0.50) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL10005389 0.72 CYP1A2 (0.62) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL46433 0.72 ABL1 (0.49) HPGDALDH1A1HSD17B10KDM4EMAPT
SCHEMBL40042 0.71 SERPINE1 (0.51) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL46775 0.70 MAPK13 (0.42)
SCHEMBL5998721 0.70 LOXL2 (0.44) CYP1A2CYP2C19CYP3A4CYP2D6TSHR

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590656-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 EP disclosed
EP-2590656-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 EP disclosed
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 US disclosed
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 US disclosed
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 US disclosed
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed
US-9301951-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-04-05 US disclosed
US-9301951-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-04-05 US disclosed
US-9301951-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-04-05 US disclosed
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 US disclosed
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 US disclosed
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 US disclosed
US-20130336920-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-2590656-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed
WO-2012006475-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

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-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 CYP1A2 1143/4885CYP2C19 379/4885CYP3A4 582/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 CYP1A2 2901/4885CYP2C19 1040/4885CYP3A4 1042/4885
US-20130336920-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 CYP1A2 1143/4885CYP2C19 379/4885CYP3A4 582/4885

“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.