SCHEMBL16637261

SCHEMBL16637261

COc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)c2cc(-c3ccc(Cl)cc3)c(Cl)cc2n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 5/20 0.51
TLR7 Q9NYK1 2/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
GBA1 P04062 2/20 0.44
PGK1 P00558 1/20 0.43
SUV39H2 Q9H5I1 6/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DPP4 P27487 1/20 0.41
RET P07949 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 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
SCHEMBL16647170 0.89 TLR9 (0.49) TLR9TLR7CNR1CNR2GBA1
SCHEMBL16637135 0.88 TLR9 (0.48) TLR9TLR7CNR1CNR2GBA1
SCHEMBL28450955 0.86 TLR9 (0.47) TLR9TLR7CNR1CNR2GBA1
SCHEMBL16637085 0.85 KRAS (0.51)
SCHEMBL29765943 0.85 KRAS (0.51)
SCHEMBL29765709 0.84 KIT (0.53) CNR1CNR2MEN1KMT2ARET
SCHEMBL16637099 0.84 KIT (0.53) CNR1CNR2MEN1KMT2ARET
SCHEMBL16637413 0.84 TLR9 (0.53) TLR9TLR7GBA1PGK1SUV39H2
SCHEMBL16637260 0.79 SLC6A7 (0.38) CNR1CNR2
SCHEMBL16637005 0.77 KIT (0.63) TLR9TLR7CNR1CNR2GBA1

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 46 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 3113/4885CNR1 3613/4885
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS TLR9 4154/4885TLR7 2942/4885CNR1 2883/4885
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TLR9 4154/4885TLR7 2942/4885CNR1 2883/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TLR9 3879/4885TLR7 3677/4885CNR1 3222/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TLR9 3879/4885TLR7 3677/4885CNR1 3222/4885
US-20240043441-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TLR9 3879/4885TLR7 3677/4885CNR1 3222/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TLR9 3879/4885TLR7 3677/4885CNR1 3222/4885
US-20220242875-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TLR9 3879/4885TLR7 3677/4885CNR1 3222/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS TLR9 3519/4885TLR7 4179/4885CNR1 4396/4885

“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.