SCHEMBL46765

SCHEMBL46765

CC(C)(C)OC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccnc(-c2cc(N3CCCCC3)ccc2N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.38
RAF1 P04049 2/20 0.37
BRAF P15056 2/20 0.37
SLC2A1 P11166 1/20 0.36
RORC P51449 1/20 0.36
GPR52 Q9Y2T5 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA6 Q16445 1/20 0.35
KDM4E B2RXH2 2/20 0.35
TACR1 P25103 1/20 0.35
NR3C2 P08235 1/20 0.35
PHGDH O43175 1/20 0.34
CETP P11597 1/20 0.34

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
SCHEMBL44681 0.89 KCNQ2 (0.37) KCNQ2RAF1BRAFRORCGPR52
SCHEMBL40161 0.88 SERPINE1 (0.41) MEN1KMT2AKDM4EPOLB
SCHEMBL19595872 0.81 ALKBH5 (0.42) KCNQ2RAF1BRAFGPR52KDM4E
SCHEMBL45557 0.79 SERPINE1 (0.40) MEN1KMT2AKDM4EPOLB
SCHEMBL39728 0.77 BRAF (0.46) RAF1BRAFMEN1KMT2AKDM4E
SCHEMBL18040373 0.77 SERPINE1 (0.44) MEN1KMT2AKDM4EPOLB
SCHEMBL2720586 0.77 SERPINE1 (0.44) MEN1KMT2AKDM4EPOLB
SCHEMBL39746 0.76 KDM4E (0.47) RAF1BRAFMEN1KMT2AKDM4E
SCHEMBL18482258 0.74 KDM4E (0.41) KCNQ2RAF1BRAFKDM4EPHGDH
SCHEMBL40470 0.73 BRAF (0.59) RAF1BRAFMEN1KMT2A

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 10 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-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
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 KCNQ2 1862/4885RAF1 3203/4885BRAF 3436/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 KCNQ2 1862/4885RAF1 3203/4885BRAF 3436/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 KCNQ2 1656/4885RAF1 3987/4885BRAF 3909/4885

“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.