SCHEMBL14742249

SCHEMBL14742249

O=C(Nc1cccnn1)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMO O15229 16/20 0.65
SIRT2 Q8IXJ6 1/20 0.46
FFAR2 O15552 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
GRM4 Q14833 1/20 0.41

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
SCHEMBL30428424 1.00 KMO (0.65) KMOSIRT2FFAR2JAK2JAK1
SCHEMBL30429064 0.86 KMO (0.60) KMOSIRT2FFAR2JAK2JAK1
SCHEMBL1938393 0.86 KMO (0.60) KMOSIRT2FFAR2JAK2JAK1
SCHEMBL1939010 0.86 KMO (0.72) KMOSIRT2GRM4
SCHEMBL30429175 0.86 KMO (0.72) KMOSIRT2GRM4
SCHEMBL14758683 0.81 KMO (0.62) KMO
SCHEMBL30428931 0.81 KMO (0.62) KMO
SCHEMBL14742362 0.80 KMO (0.63) KMOSIRT2GRM4
SCHEMBL30459563 0.80 KMO (0.63) KMOSIRT2GRM4
SCHEMBL1939177 0.79 KMO (1.00) KMOGRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036292-B2 Heterobiaryl compounds and imaging agents for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2024-07-16 US disclosed
CN-116323583-A Heterobiaryl compounds and imaging agents for imaging huntingtin CHDI基金会股份有限公司 2023-06-23 CN disclosed
EP-4192819-A1 HETEROBIARYL COMPOUNDS AND IMAGING AGENTS FOR IMAGING HUNTINGTIN PROTEIN CHDI Foundation, Inc. (US) 2023-06-14 EP disclosed
US-20220040336-A1 HETEROBIARYL COMPOUNDS AND IMAGING AGENTS FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2022-02-10 US disclosed
US-9428464-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2016-08-30 US disclosed
US-9428464-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2016-08-30 US disclosed
US-9428464-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2016-08-30 US disclosed
US-20140329795-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2014-11-06 US disclosed
US-20140329795-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2014-11-06 US disclosed
US-20140329795-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2014-11-06 US disclosed
EP-2751086-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2014-07-09 EP disclosed
WO-2013033068-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF COURTNEY STEPHEN MARTIN (GB) 2013-03-07 WO disclosed
WO-2013033068-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF COURTNEY STEPHEN MARTIN (GB) 2013-03-07 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-20220040336-A1 HETEROBIARYL COMPOUNDS AND IMAGING AGENTS FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, ATXN2L KMO 4249/4885SIRT2 4335/4885FFAR2 3766/4885
US-20140329795-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, HAAO KMO 1/4885SIRT2 1252/4885FFAR2 1122/4885
US-12036292-B2 Heterobiaryl compounds and imaging agents for imaging huntingtin protein HTT, HYPK, ATXN2L KMO 4249/4885SIRT2 4335/4885FFAR2 3766/4885

“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.