SCHEMBL3206876

SCHEMBL3206876

Oc1ccc(CCNc2nc(Cl)nc(Nc3ccccc3)n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 5/20 0.63
MAPT P10636 2/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
MAPK1 P28482 1/20 0.58
RECQL P46063 2/20 0.55
MCL1 Q07820 1/20 0.55
CA9 Q16790 2/20 0.54
NFKB1 P19838 1/20 0.54
STAT6 P42226 1/20 0.53
LMNA P02545 1/20 0.51
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
FCGR3B O75015 1/20 0.50
FCGR1A P12314 1/20 0.50
FCGR2A P12318 1/20 0.50
NR1I2 O75469 1/20 0.49
AHR P35869 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48

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
SCHEMBL13421020 0.92 KCNH3 (0.69) KCNH3RECQLMCL1STAT6ESR1
SCHEMBL13420924 0.92 KCNH3 (0.69) KCNH3RECQLMCL1STAT6ESR1
SCHEMBL13421016 0.89 KCNH3 (0.66) KCNH3RECQLMCL1STAT6ESR1
SCHEMBL3203902 0.88 RECQL (0.69) KCNH3MAPTKMT2AMEN1MAPK1
SCHEMBL13421047 0.88 KCNH3 (0.64) KCNH3RECQLMCL1STAT6ESR1
SCHEMBL12084439 0.87 CA9 (0.55) KCNH3MAPTKMT2ARECQLCA9
SCHEMBL19167235 0.87 KCNH3 (0.63) KCNH3RECQLMCL1STAT6ESR1
SCHEMBL13420997 0.87 RECQL (0.71) KCNH3MAPTRECQLMCL1STAT6
SCHEMBL19598922 0.87 KCNH3 (0.63) KCNH3RECQLMCL1STAT6ESR1
SCHEMBL13421133 0.86 KCNH3 (0.61) KCNH3RECQLMCL1STAT6ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190193050-A1 ADSORBENT MATERIAL HITACHI CHEMICAL COMPANY, LTD. (JP) 2019-06-27 US disclosed
EP-1687297-B1 TRIAZINE DIMERS FOR THE TREATMENT OF AUTOIMMUNE DISEASES PROMETIC BIOSCIENCES INC (CA) 2014-06-18 EP disclosed
US-20100203650-A1 BIOMOLECULE BINDING LIGANDS CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-08-12 US disclosed
US-20100203650-A1 BIOMOLECULE BINDING LIGANDS CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-08-12 US disclosed
US-7683061-B2 Triazine dimers for the treatment of autoimmune diseases PROMETIC BIOSCIENCES INC. (CA) 2010-03-23 US disclosed
US-7683061-B2 Triazine dimers for the treatment of autoimmune diseases PROMETIC BIOSCIENCES INC. (CA) 2010-03-23 US disclosed
US-7683061-B2 Triazine dimers for the treatment of autoimmune diseases PROMETIC BIOSCIENCES INC. (CA) 2010-03-23 US disclosed
WO-2009007676-A2 BIOMOLECULE BINDING LIGANDS CAMBRIDGE ENTERPRISE LIMITED (GB) 2009-01-15 WO disclosed
US-20070149528-A1 Triazine dimers for the treatment of autoimmune diseases PROMETIC PHARMA SMT LIMITED (GB) 2007-06-28 US disclosed
US-20070149528-A1 Triazine dimers for the treatment of autoimmune diseases PROMETIC PHARMA SMT LIMITED (GB) 2007-06-28 US disclosed
US-20070149528-A1 Triazine dimers for the treatment of autoimmune diseases PROMETIC PHARMA SMT LIMITED (GB) 2007-06-28 US disclosed
EP-0959975-B1 NOVEL AFFINITY LIGANDS AND THEIR USE NOVO NORDISK AS (DK) 2004-12-29 EP disclosed
US-6689919-B1 SOLUBLE POLY(OXYFLUOROPHENYLENE) COMPOUNDS WITH EXCELLENT HEAT RESISTANCE, MEMBRANE-FORMABILITY AND CHEMICAL STABILITY JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2004-02-10 US disclosed
CN-1089617-C Novel attinity ligands and their use NOVO NORDISK AS (DK) 2002-08-28 CN disclosed
US-6117996-A COMPLEXING; SEPARATION; PURIFICATION OF PROTEINS NOVO NORDISK A/S (DK) 2000-09-12 US disclosed
EP-0959975-A1 NOVEL AFFINITY LIGANDS AND THEIR USE NOVO NORDISK A/S (DK) 1999-12-01 EP disclosed
CN-1200680-A Novel attinity ligands and their use NOVO NORDISK AS (DK) 1998-12-02 CN disclosed
WO-1997010887-A1 NOVEL AFFINITY LIGANDS AND THEIR USE NOVO NORDISK A/S (DK) 1997-03-27 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-20070149528-A1 Triazine dimers for the treatment of autoimmune diseases SSB, TLR5, ICOS KCNH3 2097/4885MAPT 3428/4885KMT2A 1471/4885
US-20100203650-A1 BIOMOLECULE BINDING LIGANDS C3AR1, GRB7, C1R KCNH3 3680/4885MAPT 4416/4885KMT2A 3966/4885
US-20190193050-A1 ADSORBENT MATERIAL EPCAM, CD44, VIM KCNH3 2233/4885MAPT 883/4885KMT2A 3295/4885

“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.