SCHEMBL1502341

SCHEMBL1502341

c1ccc2c(c1)ccn1cncc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 1.00
CYP11B2 P19099 2/20 0.39
TDO2 P48775 2/20 0.39
QPCT Q16769 1/20 0.37
QPCTL Q9NXS2 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
RAB9A P51151 2/20 0.36
BLM P54132 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
PARP1 P09874 1/20 0.36
PRKCI P41743 1/20 0.36
PDE4B Q07343 1/20 0.36
CYP2A6 P11509 1/20 0.36
TSHR P16473 1/20 0.36
SRC P12931 1/20 0.36
NPC1 O15118 2/20 0.35

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
SCHEMBL11535971 1.00 IDO1 (1.00) IDO1CYP11B2TDO2QPCTQPCTL
SCHEMBL30469479 1.00 IDO1 (1.00) IDO1CYP11B2TDO2QPCTQPCTL
SCHEMBL2733510 0.73 IDO1 (0.57) IDO1QPCTQPCTLMAPTBLM
SCHEMBL12145088 0.73 IDO1 (0.57) IDO1QPCTQPCTLMAPTL3MBTL1
SCHEMBL11194432 0.72 IDO1 (0.56) IDO1POLBALDH1A1MAPTHSD17B10
SCHEMBL29740625 0.71 IDO1 (0.55) IDO1ALDH1A1MAPTRAB9ABLM
SCHEMBL1159418 0.71 IDO1 (0.55) IDO1ALDH1A1MAPTRAB9ABLM
SCHEMBL27733417 0.69 IDO1 (0.53) IDO1ALDH1A1MAPTRAB9ABLM
SCHEMBL4792073 0.69 IDO1 (0.53) IDO1TDO2RAB9AHSD17B10TDP1
SCHEMBL6349183 0.69 IDO1 (0.53) IDO1CYP11B2TDO2POLBALDH1A1

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 99 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US claimed
EP-2291187-A2 IDO INHIBITORS Newlink Genetics (US) 2011-03-09 EP claimed
WO-2009132238-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-10-29 WO claimed
US-20030144263-A1 Oxazolidinone derivatives, process for their preparation and pharmaceutical compositions containing them SYNGENTA LIMITED (GB) 2003-07-31 US claimed
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
US-20140323740-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2014-10-30 US disclosed
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 US disclosed
US-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 US disclosed
US-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 US disclosed
EP-2435433-B1 (DIHYDRO)IMIDAZOISO[5,1-A]QUINOLINES AS FSH RECEPTOR AGONISTS FOR THE TREATMENT OF FERTILITY DISORDERS MERCK SHARP & DOHME (NL) 2013-08-28 EP disclosed
US-8071587-B2 (Dihydro)imidazoiso[5,1-A]quinolines N. V. ORGANON (NL) 2011-12-06 US disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US disclosed
US-4141898-A Imidazo pyridinium quaternary salts as hypoglycemic agents PFIZER INC. (US) 1979-02-27 US disclosed
US-4141898-A Imidazo pyridinium quaternary salts as hypoglycemic agents PFIZER INC. (US) 1979-02-27 US disclosed
US-4129567-A IMIDAZOPYRIDINES AND ISOB IDINE PFIZER INC. (US) 1978-12-12 US disclosed
US-4129567-A IMIDAZOPYRIDINES AND ISOB IDINE PFIZER INC. (US) 1978-12-12 US disclosed
US-4093616-A PYRROLO(1,2-A)PYRAZINIUM, PYRAZOLO(1,5-A)PYRIDINIUM, 1H-IMIDAZO(2,1-A)ISOQUINOLINIUM, OR IMIDAZO(5,1-A)ISOQUINOLINIUM SALTS PFIZER INC. (US) 1978-06-06 US disclosed
US-4093616-A PYRROLO(1,2-A)PYRAZINIUM, PYRAZOLO(1,5-A)PYRIDINIUM, 1H-IMIDAZO(2,1-A)ISOQUINOLINIUM, OR IMIDAZO(5,1-A)ISOQUINOLINIUM SALTS PFIZER INC. (US) 1978-06-06 US disclosed
US-4044015-A Imidazopyridinium compounds as hypoglycemic agents PFIZER INC. (US) 1977-08-23 US disclosed
US-4044015-A Imidazopyridinium compounds as hypoglycemic agents PFIZER INC. (US) 1977-08-23 US 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-20030144263-A1 Oxazolidinone derivatives, process for their preparation and pharmaceutical compositions containing them CYP3A5, CYP2D6, OXA1L IDO1 1888/4885CYP11B2 435/4885TDO2 166/4885
US-20140323740-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885CYP11B2 1149/4885TDO2 4/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885CYP11B2 1149/4885TDO2 4/4885
US-20130289083-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885CYP11B2 1032/4885TDO2 4/4885

“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.