SCHEMBL166004

SCHEMBL166004

Clc1cc2c(Br)cccc2c(Cl)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.37
ENPP1 P22413 1/20 0.37
BACE1 P56817 1/20 0.36
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NOS1 P29475 1/20 0.33
AXL P30530 1/20 0.33
CYP1A2 P05177 3/20 0.33
PARP1 P09874 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
APEX1 P27695 1/20 0.32
MAPK1 P28482 1/20 0.32
PMP22 Q01453 1/20 0.32
PDPK1 O15530 1/20 0.32
AHR P35869 1/20 0.31
CYP2A6 P11509 2/20 0.31
KMT2A Q03164 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL30225279 1.00 ENPP3 (0.37) ENPP3ENPP1BACE1LMNAALDH1A1
SCHEMBL17873008 0.81 BACE1 (0.42) ENPP3ENPP1BACE1ALDH1A1CYP1A2
SCHEMBL2172222 0.81 ALDH1A1 (0.42) ENPP3ENPP1BACE1LMNAALDH1A1
SCHEMBL15366499 0.81 NR4A2 (0.41) ENPP3ENPP1BACE1ALDH1A1CYP1A2
SCHEMBL31399682 0.81 NR4A2 (0.41) ENPP3ENPP1BACE1ALDH1A1CYP1A2
SCHEMBL31729412 0.81 ALDH1A1 (0.42) ENPP3ENPP1BACE1LMNAALDH1A1
SCHEMBL11792894 0.79 CYP1A2 (0.50) LMNANOS1CYP1A2PARP1CYP3A4
SCHEMBL31728729 0.77 PARP1 (0.35) ENPP3ENPP1BACE1LMNAALDH1A1
SCHEMBL160724 0.77 NR1I3 (0.41) LMNAALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL11794116 0.76 CYP1A2 (0.46) LMNAALDH1A1CYP1A2CYP3A4CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4142732-B1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2026-04-22 EP disclosed
EP-4724430-A1 CONDENSED AZINES AS INHIBITORS OF CYCLIC ADP RIBOSE HYDROLASE Flagship Pioneering Innovations VI, LLC (US) 2026-04-15 EP disclosed
US-20250109122-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2025-04-03 US disclosed
US-12202817-B2 Cycloalkyl pyrimidines as ferroportin inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2025-01-21 US disclosed
WO-2024254396-A1 CONDENSED AZINES AS INHIBITORS OF CYCLIC ADP RIBOSE HYDROLASE FLAGSHIP PIONEERING INNOVATIONS, VI, LLC (US) 2024-12-12 WO disclosed
US-20240140932-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2024-05-02 US disclosed
US-20240025899-A1 TRIHETEROCYCLIC DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2024-01-25 US disclosed
US-20240025899-A1 TRIHETEROCYCLIC DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2024-01-25 US disclosed
US-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-09-05 US disclosed
US-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-09-05 US disclosed
US-8436015-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2013-05-07 US disclosed
US-8436015-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2013-05-07 US disclosed
WO-2012171337-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-12-20 WO disclosed
WO-2012030944-A2 QUINOLINE AND ISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed
EP-2346830-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck Sharp & Dohme Corp. (US) 2011-07-27 EP disclosed
US-20110172256-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME LLC 2011-07-14 US disclosed
US-20110172256-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME LLC 2011-07-14 US disclosed
US-20110172256-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME LLC 2011-07-14 US disclosed
WO-2010030722-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2010-03-18 WO disclosed
WO-2010030722-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2010-03-18 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 (6 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-12202817-B2 Cycloalkyl pyrimidines as ferroportin inhibitors HAMP, SLC40A1, FANCI ENPP3 353/4885ENPP1 228/4885BACE1 2035/4885
US-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors HAMP, SLC40A1, FANCI ENPP3 353/4885ENPP1 228/4885BACE1 2035/4885
US-20110172256-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE GCGR, GLP1R, GPR119 ENPP3 1278/4885ENPP1 1510/4885BACE1 2112/4885
US-20250109122-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS HAMP, SLC40A1, FANCI ENPP3 353/4885ENPP1 228/4885BACE1 2035/4885
US-20240140932-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS HAMP, SLC40A1, FANCI ENPP3 353/4885ENPP1 228/4885BACE1 2035/4885
US-20240025899-A1 TRIHETEROCYCLIC DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ATR, ATRIP, CHEK2 ENPP3 1881/4885ENPP1 1301/4885BACE1 1205/4885

“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.