SCHEMBL1502406

SCHEMBL1502406

Brc1cccc(-c2cnc[nH]2)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 9/20 0.64
CYP3A4 P08684 2/20 0.60
CYP2E1 P05181 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2A6 P11509 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2B6 P20813 1/20 0.55
CYP2C19 P33261 1/20 0.55
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
SCN9A Q15858 1/20 0.51
METAP2 P50579 1/20 0.50
HPGDS O60760 1/20 0.50
ASIC3 Q9UHC3 2/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL21128574 0.79 IDO1 (0.74) IDO1CYP3A4CYP2E1CYP2D6CYP2A6
SCHEMBL12647751 0.79 CYP11B1 (0.70) IDO1CYP3A4CYP2E1CYP2D6CYP2A6
SCHEMBL872414 0.78 IDO1 (1.00) IDO1CYP3A4CYP2E1CYP2D6CYP2A6
SCHEMBL872416 0.78 IDO1 (1.00) IDO1CYP3A4CYP2E1CYP2D6CYP2A6
SCHEMBL871586 0.78 IDO1 (0.64) IDO1CYP3A4CYP2E1CYP2D6CYP2A6
SCHEMBL25262025 0.78 IDO1 (0.64) IDO1CYP3A4CYP2E1CYP2D6CYP2A6
SCHEMBL25214286 0.78 IDO1 (0.64) IDO1CYP3A4CYP2E1CYP2D6CYP2A6
SCHEMBL1949479 0.78 IDO1 (1.00) IDO1CYP3A4CYP2E1CYP2D6CYP2A6
SCHEMBL205481 0.76 IDO1 (0.64) IDO1CYP3A4CYP2E1CYP2D6CYP2A6
SCHEMBL311306 0.76 IDO1 (1.00) IDO1CYP3A4CYP2E1CYP2D6CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US claimed
US-20140323740-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2014-10-30 US claimed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US claimed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
CN-117120419-A KLK5 bicyclic heteroaromatic inhibitors 拜奥克里斯特制药公司 2023-11-24 CN disclosed
CN-104910148-B Aminotriazole(ATA) and pyridine and its as kinase inhibitor purposes 西格诺药品有限公司 2017-06-27 CN disclosed
EP-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 EP disclosed
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US disclosed
CN-102083429-A Ido inhibitors NEWLINK GENETICS 2011-06-01 CN disclosed
EP-2291187-A2 IDO INHIBITORS Newlink Genetics (US) 2011-03-09 EP disclosed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 US disclosed
WO-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 WO disclosed
WO-2009132238-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-10-29 WO disclosed
WO-2009132238-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-10-29 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 (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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 IDO1 2041/4885CYP3A4 630/4885CYP2E1 1087/4885
US-20140323740-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885CYP3A4 250/4885CYP2E1 234/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885CYP3A4 250/4885CYP2E1 234/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 IDO1 690/4885CYP3A4 1118/4885CYP2E1 894/4885

“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.