SCHEMBL16637965

SCHEMBL16637965

CC(=O)OCc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)c2cc(Cl)c(Br)c(F)c2n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.40
TLR9 Q9NR96 5/20 0.38
TLR7 Q9NYK1 2/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GRIA1 P42261 1/20 0.37
GPR119 Q8TDV5 2/20 0.37
CXCR2 P25025 1/20 0.37
GBA1 P04062 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
SUV39H2 Q9H5I1 2/20 0.36
KIT P10721 1/20 0.35

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
SCHEMBL29765920 1.00 KCNH2 (0.40) KCNH2TLR9TLR7TSHRHTT
SCHEMBL29765922 0.89 KCNH2 (0.42) KCNH2TLR9TLR7TSHRHTT
SCHEMBL16636978 0.89 KCNH2 (0.42) KCNH2TLR9TLR7TSHRHTT
SCHEMBL16636843 0.89 TLR9 (0.42) KCNH2TLR9TLR7TSHRHTT
SCHEMBL30569578 0.89 TLR9 (0.42) KCNH2TLR9TLR7TSHRHTT
SCHEMBL16637243 0.88 TSHR (0.35) TSHRHTTNPSR1HSD17B10MEN1
SCHEMBL16637139 0.88 TLR9 (0.43) KCNH2TLR9TLR7TSHRHTT
SCHEMBL21415546 0.86 TSHR (0.32) TSHRHTTNPSR1HSD17B10MEN1
SCHEMBL18128462 0.85 TLR9 (0.41) KCNH2TLR9TLR7TSHRHTT
SCHEMBL24161673 0.85 GBA1 (0.43) KCNH2TLR9TSHRHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE50490-E1 Substituted quinazoline compounds and methods of use thereof ARAXES PHARMA LLC (US) 2025-07-15 US disclosed
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
WO-2016164675-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2016-10-13 WO disclosed
WO-2016164675-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2016-10-13 WO disclosed
US-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2016-10-13 US disclosed
US-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2016-10-13 US disclosed
US-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2016-10-13 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

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 KCNH2 2775/4885TLR9 3734/4885TLR7 3113/4885
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS KCNH2 4203/4885TLR9 4154/4885TLR7 2942/4885
US-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS KCNH2 3801/4885TLR9 4089/4885TLR7 2362/4885
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KCNH2 4203/4885TLR9 4154/4885TLR7 2942/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KCNH2 4508/4885TLR9 3879/4885TLR7 3677/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KCNH2 4508/4885TLR9 3879/4885TLR7 3677/4885
US-20240043441-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KCNH2 4508/4885TLR9 3879/4885TLR7 3677/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KCNH2 4508/4885TLR9 3879/4885TLR7 3677/4885
US-20220242875-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KCNH2 4508/4885TLR9 3879/4885TLR7 3677/4885

“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.