SCHEMBL16637139

SCHEMBL16637139

CN(C)Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)c2cc(Cl)c(Br)c(F)c2n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 5/20 0.43
TLR7 Q9NYK1 2/20 0.43
KCNH2 Q12809 2/20 0.41
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
GBA1 P04062 2/20 0.38
CXCR2 P25025 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SUV39H2 Q9H5I1 3/20 0.37
ACHE P22303 1/20 0.37
CCNT1 O60563 1/20 0.37
KIT P10721 1/20 0.36
MAPK8 P45983 1/20 0.36

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
SCHEMBL18128462 0.92 TLR9 (0.41) TLR9TLR7KCNH2NR1H2NR1H3
SCHEMBL29765922 0.91 KCNH2 (0.42) TLR9TLR7KCNH2GBA1CXCR2
SCHEMBL16636978 0.91 KCNH2 (0.42) TLR9TLR7KCNH2GBA1CXCR2
SCHEMBL30569578 0.91 TLR9 (0.42) TLR9TLR7KCNH2NR1H2NR1H3
SCHEMBL16636843 0.91 TLR9 (0.42) TLR9TLR7KCNH2NR1H2NR1H3
SCHEMBL21415502 0.89 TLR9 (0.43) TLR9TLR7NR1H2NR1H3GBA1
SCHEMBL16637965 0.88 KCNH2 (0.40) TLR9TLR7KCNH2GBA1CXCR2
SCHEMBL29765920 0.88 KCNH2 (0.40) TLR9TLR7KCNH2GBA1CXCR2
SCHEMBL24161673 0.87 GBA1 (0.43) TLR9KCNH2NR1H2NR1H3GBA1
SCHEMBL16637001 0.87 KCNH2 (0.42) TLR9KCNH2NR1H2NR1H3GBA1

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 28 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-20220242875-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2022-08-04 US disclosed
US-20210188869-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2021-06-24 US disclosed
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-05-03 US disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 US disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 US disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 US disclosed
EP-3055290-A1 INHIBITORS OF KRAS G12C Araxes Pharma LLC (US) 2016-08-17 EP 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 (10 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-20210188869-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TLR9 3879/4885TLR7 3677/4885KCNH2 4508/4885
US-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C KRAS, NRAS, HRAS TLR9 3734/4885TLR7 3113/4885KCNH2 2775/4885
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS TLR9 4154/4885TLR7 2942/4885KCNH2 4203/4885
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TLR9 4154/4885TLR7 2942/4885KCNH2 4203/4885
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TLR9 4154/4885TLR7 2942/4885KCNH2 4203/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TLR9 3879/4885TLR7 3677/4885KCNH2 4508/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TLR9 3879/4885TLR7 3677/4885KCNH2 4508/4885
US-20240043441-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TLR9 3879/4885TLR7 3677/4885KCNH2 4508/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TLR9 3879/4885TLR7 3677/4885KCNH2 4508/4885
US-20220242875-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TLR9 3879/4885TLR7 3677/4885KCNH2 4508/4885

“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.