Sugi Predict

Sugi Predict / Compounds / SCHEMBL6000697

SCHEMBL6000697

SCHEMBL6000697

N/C(=C\N(N)Cc1ccccc1)c1ccnc(-c2cc(N3CCCCC3)ccc2N)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ S100B P04271 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ IP6K1 Q92551 1/20 0.33
▸ KDM5A P29375 2/20 0.33
▸ KDM4C Q9H3R0 2/20 0.33
▸ KDM5B Q9UGL1 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL6000696 0.86 MAPT (0.44) HTR6ALDH1A1MAPTHTTTDP1
SCHEMBL2733833 0.77 NPC1 (0.44) HDAC1ALDH1A1MAPTTDP1LMNA
SCHEMBL39922 0.74 MAPT (0.40) HDAC1ALDH1A1MAPTHTTTDP1
SCHEMBL6000392 0.74 NTRK1 (0.36) HDAC1MEN1KMT2A
SCHEMBL15444461 0.71 ELOVL1 (0.43) HDAC1ALDH1A1MAPTHTTTDP1
SCHEMBL40451 0.70 KDM4E (0.52) HDAC1ALDH1A1MAPTHTTTDP1
SCHEMBL40085 0.69 ALDH1A1 (0.36) HDAC1ALDH1A1MAPTHTTTDP1
SCHEMBL15432543 0.68 KIF11 (0.34) ALDH1A1MAPTHTTTDP1MEN1
SCHEMBL39728 0.68 BRAF (0.46) HDAC1TDP1MEN1GAAMAPK1
SCHEMBL39746 0.67 KDM4E (0.47) HDAC1TDP1MEN1GAAMAPK1

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-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-8916569-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-12-23 — — US disclosed
US-8916569-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-12-23 — — 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 (1 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 HDAC1 2715/4885HTR6 1779/4885ALDH1A1 2892/4885

“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.