SCHEMBL2228047

SCHEMBL2228047

Clc1cccc(-c2cc(Cl)ncn2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.61
MAP4K4 O95819 4/20 0.49
FAAH O00519 1/20 0.48
IDO1 P14902 4/20 0.47
DPP4 P27487 1/20 0.45
CYP19A1 P11511 1/20 0.44
CHEK1 O14757 1/20 0.43
PIM1 P11309 2/20 0.43
CDC7 O00311 1/20 0.43
DAPK3 O43293 1/20 0.43
PRKACA P17612 1/20 0.43
FLT3 P36888 1/20 0.43
CDK8 P49336 1/20 0.43
CLK2 P49760 1/20 0.43
GSK3B P49841 1/20 0.43
CDK7 P50613 1/20 0.43
CDK9 P50750 1/20 0.43
PRKX P51817 1/20 0.43
CDK5 Q00535 1/20 0.43
DYRK1A Q13627 1/20 0.43

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
SCHEMBL30459860 1.00 KMO (0.61) KMOMAP4K4FAAHIDO1DPP4
SCHEMBL17273305 0.90 KMO (0.67) KMOMAP4K4FAAHIDO1DPP4
SCHEMBL29450669 0.90 KMO (0.67) KMOMAP4K4FAAHIDO1DPP4
SCHEMBL25273119 0.86 KMO (0.52) KMOMAP4K4FAAHIDO1DPP4
SCHEMBL632053 0.82 ASIC3 (0.59) KMOMAP4K4PIM1CDC7DAPK3
SCHEMBL29392239 0.82 ASIC3 (0.59) KMOMAP4K4PIM1CDC7DAPK3
SCHEMBL4430566 0.81 KMO (0.58) KMOMAP4K4IDO1DPP4PIM1
SCHEMBL20137317 0.81 KMO (0.62) KMOMAP4K4FAAHIDO1DPP4
SCHEMBL6845004 0.81 KMO (0.58) KMOMAP4K4FAAHIDO1DPP4
SCHEMBL4901305 0.81 KMO (0.58) KMOMAP4K4FAAHIDO1PIM1

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 39 patents — showing the first 20. 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
US-12036292-B2 Heterobiaryl compounds and imaging agents for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2024-07-16 US disclosed
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-20220040336-A1 HETEROBIARYL COMPOUNDS AND IMAGING AGENTS FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2022-02-10 US disclosed
EP-3565810-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION ViiV Healthcare UK (No.5) Limited (GB) 2019-11-13 EP disclosed
WO-2018127801-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-07-12 WO disclosed
US-9649310-B2 Certain kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-05-16 US disclosed
US-20130029988-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF EVOTEC (UK) LTD. (GB) 2013-01-31 US disclosed
EP-2528441-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2012-12-05 EP disclosed
WO-2011091153-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2011-07-28 WO disclosed
WO-2011091153-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2011-07-28 WO disclosed
US-20080261990-A1 Novel Pyrimidine Derivatives and their Use BAYER HEALTHCARE AG (DE) 2008-10-23 US disclosed
US-20080261990-A1 Novel Pyrimidine Derivatives and their Use BAYER HEALTHCARE AG (DE) 2008-10-23 US disclosed
US-20080261990-A1 Novel Pyrimidine Derivatives and their Use BAYER HEALTHCARE AG (DE) 2008-10-23 US disclosed
CN-101065364-A Novel pyrimidine derivatives and their use as PPAR-alpha modulators BAYER HEALTHCARE AG (DE) 2007-10-31 CN disclosed
EP-1797045-A1 NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE AS PPAR-ALPHA MODULATORS Bayer HealthCare AG (DE) 2007-06-20 EP disclosed
WO-2006032384-A1 NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE AS PPAR-ALPHA MODULATORS BAYER HEALTHCARE AG (DE) 2006-03-30 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-20130029988-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA KMO 1/4885MAP4K4 1725/4885FAAH 196/4885
US-20220040336-A1 HETEROBIARYL COMPOUNDS AND IMAGING AGENTS FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, ATXN2L KMO 4249/4885MAP4K4 4058/4885FAAH 2849/4885
US-12036292-B2 Heterobiaryl compounds and imaging agents for imaging huntingtin protein HTT, HYPK, ATXN2L KMO 4249/4885MAP4K4 4058/4885FAAH 2849/4885
US-20080261990-A1 Novel Pyrimidine Derivatives and their Use TYMS, TYMP, UMPS KMO 1126/4885MAP4K4 2533/4885FAAH 2924/4885

“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.