SCHEMBL16637413

SCHEMBL16637413

COc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)c2cc(Br)c(Cl)cc2n1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 5/20 0.53
TLR7 Q9NYK1 2/20 0.46
GBA1 P04062 2/20 0.45
SUV39H2 Q9H5I1 6/20 0.43
BACE1 P56817 1/20 0.42
PGK1 P00558 1/20 0.41
KCNH2 Q12809 1/20 0.40
KIT P10721 1/20 0.39
ALK Q9UM73 2/20 0.39

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
SCHEMBL16636524 0.90 TLR9 (0.52) TLR9TLR7GBA1SUV39H2BACE1
SCHEMBL16637591 0.88 TLR9 (0.50) TLR9TLR7GBA1SUV39H2BACE1
SCHEMBL16636895 0.87 TLR9 (0.49) TLR9TLR7GBA1SUV39H2BACE1
SCHEMBL16636959 0.86 SMN1; SMN2 (0.40) TLR9BACE1KIT
SCHEMBL22028788 0.85 TLR9 (0.52) TLR9TLR7GBA1SUV39H2BACE1
SCHEMBL30346732 0.85 TLR9 (0.52) TLR9TLR7GBA1SUV39H2BACE1
SCHEMBL16637261 0.84 TLR9 (0.51) TLR9TLR7GBA1SUV39H2PGK1
SCHEMBL30826956 0.84 TLR9 (0.50) TLR9TLR7GBA1SUV39H2BACE1
SCHEMBL22028936 0.84 TLR9 (0.50) TLR9TLR7GBA1SUV39H2BACE1
SCHEMBL22029098 0.83 TLR9 (0.49) TLR9TLR7GBA1SUV39H2BACE1

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-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2025-02-25 US disclosed
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2024-10-24 US disclosed
US-20240043441-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2024-02-08 US disclosed
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2024-01-23 US disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
US-20220242875-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2022-08-04 US disclosed
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 US disclosed
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 US disclosed
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 US disclosed
WO-2016044772-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2016-03-24 WO disclosed
WO-2016044772-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2016-03-24 WO disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 US disclosed
WO-2015054572-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2015-04-16 WO disclosed
WO-2015054572-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2015-04-16 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 (9 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-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C KRAS, NRAS, HRAS TLR9 3734/4885TLR7 3113/4885GBA1 1981/4885
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS TLR9 4154/4885TLR7 2942/4885GBA1 1372/4885
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TLR9 4154/4885TLR7 2942/4885GBA1 1372/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TLR9 3879/4885TLR7 3677/4885GBA1 1100/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TLR9 3879/4885TLR7 3677/4885GBA1 1100/4885
US-20240043441-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TLR9 3879/4885TLR7 3677/4885GBA1 1100/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TLR9 3879/4885TLR7 3677/4885GBA1 1100/4885
US-20220242875-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TLR9 3879/4885TLR7 3677/4885GBA1 1100/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS TLR9 3519/4885TLR7 4179/4885GBA1 3384/4885

“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.