SCHEMBL46960

SCHEMBL46960

N=C(N)SC(=N)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.54
F10 P00742 1/20 0.54
F12 P00748 1/20 0.54
F7 P08709 1/20 0.54
F3 P13726 1/20 0.54
PKM P14618 1/20 0.54
BLM P54132 2/20 0.52
PRSS1 P07477 3/20 0.50
PRSS2 P07478 3/20 0.50
PRSS3 P35030 3/20 0.50
RECQL P46063 2/20 0.50
KMT2A Q03164 2/20 0.50
C1S P09871 1/20 0.50
IDO1 P14902 3/20 0.45
NOS1 P29475 3/20 0.45
NOS3 P29474 1/20 0.45
NOS2 P35228 1/20 0.45
MAPT P10636 2/20 0.42
TSHR P16473 2/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL5452730 0.77 BLM (0.50) F2F10F12F7F3
SCHEMBL16907870 0.77 NAPRT (0.38) KMT2ANOS1MAPTTSHRCYP3A4
SCHEMBL13828390 0.77 IDO1 (0.48) PKMPRSS1PRSS2PRSS3KMT2A
SCHEMBL19204130 0.77 IDO1 (0.48) IDO1NOS1NOS3CA1CA2
SCHEMBL24761126 0.76 F2 (0.42) F2F10F12F7F3
SCHEMBL15219042 0.75 F2 (0.52) F2F10F12F7F3
Benzamidine SCHEMBL9207 0.71
Benzamidine SCHEMBL23067876 0.71 F2 (1.00) F2F10F12F7F3
SCHEMBL18557033 0.71 F2 (1.00) F2F10F12F7F3
SCHEMBL1668498 0.70 F2 (0.46) F2F10F12F7F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US 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
US-9289430-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-03-22 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-8586589-B2 Piperidine and piperazine phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-19 US disclosed
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 US disclosed
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 US 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-2009012242-A2 SODIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 2009-01-22 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-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 F2 3834/4885F10 1866/4885F12 2251/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 F2 4495/4885F10 4281/4885F12 4618/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA F2 4878/4885F10 4715/4885F12 4864/4885

“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.