SCHEMBL5255146

SCHEMBL5255146

NCCc1ccc(N)c(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 11/20 0.52
KDM4E B2RXH2 4/20 0.52
ADRA2A P08913 3/20 0.52
SLC6A2 P23975 3/20 0.52
MAPT P10636 2/20 0.52
DRD2 P14416 2/20 0.52
DRD1 P21728 2/20 0.52
DRD4 P21917 2/20 0.52
DRD5 P21918 2/20 0.52
MAPK1 P28482 2/20 0.52
DRD3 P35462 2/20 0.52
RECQL P46063 2/20 0.52
SLC6A3 Q01959 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HTR1A P08908 2/20 0.52
PNMT P11086 1/20 0.52
TP53 P04637 1/20 0.52
ADRB2 P07550 1/20 0.52
CYP2D6 P10635 1/20 0.52

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
SCHEMBL2777255 0.87 TDP1 (0.48) KDM4EMAPTTDP1ALDH1A1TP53
SCHEMBL28127455 0.83 SLC6A2 (0.43) TAAR1KDM4EADRA2ASLC6A2MAPT
SCHEMBL6682241 0.81 TAAR1 (0.54) TAAR1KDM4EADRA2ASLC6A2MAPT
SCHEMBL31347497 0.81 TAAR1 (0.54) TAAR1KDM4EADRA2ASLC6A2MAPT
SCHEMBL28814374 0.80 TDP1 (0.42) TAAR1KDM4EADRA2ASLC6A2MAPT
SCHEMBL4368721 0.79 CASP1 (0.54) TAAR1KDM4EADRA2ASLC6A2MAPT
SCHEMBL9484951 0.79 TAAR1 (0.47) TAAR1KDM4EADRA2ASLC6A2MAPT
SCHEMBL1121808 0.79 TAAR1 (0.69) TAAR1KDM4EADRA2ASLC6A2MAPT
SCHEMBL9860652 0.79 TAAR1 (0.47) TAAR1KDM4EADRA2ASLC6A2MAPT
SCHEMBL10409135 0.79 TAAR1 (0.69) TAAR1KDM4EADRA2ASLC6A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021095032-A1 GLUCOSE UPTAKE INHIBITORS AND USES THEREOF METABOMED LTD (IL) 2021-05-20 WO disclosed
US-9560848-B2 Method and compositions for biofouling deterrence CLEMSON UNIVERSITY (US) 2017-02-07 US disclosed
EP-1361225-B1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS SANKYO CO (JP) 2007-11-07 EP disclosed
US-7122666-B2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-10-17 US disclosed
US-7091352-B2 Compounds substituted with bicyclic amino groups SANKYO COMPANY, LIMITED (JP) 2006-08-15 US disclosed
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-06-15 US disclosed
EP-1377577-B1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO CO (JP) 2006-06-14 EP disclosed
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2005-12-22 US disclosed
US-20040147525-A1 Compounds substituted with bicyclic amino groups SANKYO COMPANY, LIMITED (JP) 2004-07-29 US disclosed
EP-1070711-B1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 2004-04-14 EP disclosed
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
EP-1377577-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES Sankyo Company Limited (JP) 2004-01-07 EP disclosed
EP-1361225-A1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS Sankyo Company, Limited (JP) 2003-11-12 EP disclosed
EP-1352906-A1 COMPOSITIONS FOR PREVENTION OR TREATMENT OF HEPATOPATHY Sankyo Company, Limited (JP) 2003-10-15 EP disclosed
EP-1243589-A1 Heteroaryl-substituted pyrrole derivates, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2002-09-25 EP disclosed
WO-2002057264-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO COMPANY LIMITED (JP) 2002-07-25 WO disclosed
EP-1070711-A2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2001-01-24 EP disclosed
US-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 US disclosed
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP 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 (4 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-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1A, IL1B TAAR1 1641/4885KDM4E 4073/4885ADRA2A 57/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A TAAR1 1222/4885KDM4E 3407/4885ADRA2A 40/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A TAAR1 827/4885KDM4E 3733/4885ADRA2A 341/4885
US-20040147525-A1 Compounds substituted with bicyclic amino groups IL2, IL1B, IL4I1 TAAR1 2028/4885KDM4E 3358/4885ADRA2A 1072/4885

“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.