SCHEMBL46732

SCHEMBL46732

CN(C)CCC#Cc1cccc(C(=O)Nc2ccc(Cl)cc2-c2cc(NCc3cccc(C(F)(F)F)c3)ncn2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.41
ROCK2 O75116 1/20 0.41
MAP4K4 O95819 1/20 0.41
PIM1 P11309 1/20 0.41
PRKACA P17612 1/20 0.41
CDK2 P24941 1/20 0.41
GSK3B P49841 1/20 0.41
HIPK2 Q9H2X6 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
LCK P06239 6/20 0.40
TEK Q02763 2/20 0.40
SLC34A2 O95436 1/20 0.39
INSR P06213 2/20 0.38
LYN P07948 2/20 0.38
HCK P08631 2/20 0.38
SRC P12931 2/20 0.38
KDR P35968 2/20 0.38
AURKA O14965 2/20 0.38

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
SCHEMBL15432605 0.90 CYP1A2 (0.46) CDC7ROCK2PIM1PRKACACDK2
SCHEMBL46470 0.83 CLK4 (0.48) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL40589 0.83 ROCK2 (0.46) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL6001515 0.82 SLC34A2 (0.42) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL46471 0.79 SLC34A2 (0.46) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL46461 0.78 SLC34A2 (0.54) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL18059156 0.75 CLK4 (0.46) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL15432596 0.73 CYP1A2 (0.55) CDC7ROCK2PIM1PRKACACDK2
SCHEMBL15432592 0.72 CYP1A2 (0.53) CDC7ROCK2PIM1PRKACACDK2
SCHEMBL15432607 0.71 CYP1A2 (0.47) CDC7ROCK2PIM1PRKACACDK2

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 8 patents. 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
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 US disclosed
US-9301951-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-04-05 US disclosed
US-20150164876-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 US disclosed
US-8916569-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-12-23 US disclosed
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 US 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

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-20150164876-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 CDC7 2129/4885ROCK2 2489/4885MAP4K4 3470/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 CDC7 2129/4885ROCK2 2489/4885MAP4K4 3470/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 CDC7 1709/4885ROCK2 3729/4885MAP4K4 3287/4885

“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.