SCHEMBL16636895

SCHEMBL16636895

CC(C)(C)OC(=O)N1CCN(c2nc(N)nc3cc(Cl)c(Br)cc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 5/20 0.49
GBA1 P04062 2/20 0.45
TLR7 Q9NYK1 2/20 0.43
BACE1 P56817 2/20 0.42
MAP4K4 O95819 1/20 0.42
KIT P10721 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
KCNH2 Q12809 2/20 0.41
SUV39H2 Q9H5I1 1/20 0.40
MAPK8 P45983 1/20 0.40
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
PBRM1 Q86U86 1/20 0.40
PTPN11 Q06124 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 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 0.91 TLR9 (0.52) TLR9GBA1TLR7BACE1KIT
SCHEMBL16637591 0.89 TLR9 (0.50) TLR9GBA1TLR7BACE1KIT
SCHEMBL16637413 0.87 TLR9 (0.53) TLR9GBA1TLR7BACE1KIT
SCHEMBL22028788 0.86 TLR9 (0.52) TLR9GBA1TLR7BACE1KIT
SCHEMBL30346732 0.86 TLR9 (0.52) TLR9GBA1TLR7BACE1KIT
SCHEMBL30826956 0.84 TLR9 (0.50) TLR9GBA1TLR7BACE1KIT
SCHEMBL22028936 0.84 TLR9 (0.50) TLR9GBA1TLR7BACE1KIT
SCHEMBL22029098 0.84 TLR9 (0.49) TLR9GBA1TLR7BACE1KIT
SCHEMBL30826973 0.84 TLR9 (0.49) TLR9GBA1TLR7BACE1KIT
SCHEMBL16637135 0.84 TLR9 (0.48) TLR9GBA1TLR7MAP4K4KIT

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 3734/4885GBA1 1981/4885TLR7 3113/4885
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS TLR9 4154/4885GBA1 1372/4885TLR7 2942/4885
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TLR9 4154/4885GBA1 1372/4885TLR7 2942/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TLR9 3879/4885GBA1 1100/4885TLR7 3677/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TLR9 3879/4885GBA1 1100/4885TLR7 3677/4885
US-20240043441-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TLR9 3879/4885GBA1 1100/4885TLR7 3677/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TLR9 3879/4885GBA1 1100/4885TLR7 3677/4885
US-20220242875-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TLR9 3879/4885GBA1 1100/4885TLR7 3677/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS TLR9 3519/4885GBA1 3384/4885TLR7 4179/4885

“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.