SCHEMBL16636949

SCHEMBL16636949

CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(Cl)c(C#N)cc23)CC1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KRAS P01116 5/20 0.40
MAP4K4 O95819 1/20 0.39
NR1H2 P55055 3/20 0.38
NR1H3 Q13133 3/20 0.38
EIF2AK4 Q9P2K8 1/20 0.38
PDE10A Q9Y233 2/20 0.37
KIT P10721 3/20 0.37
GPR119 Q8TDV5 1/20 0.36
PIK3CD O00329 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
FLT3 P36888 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
JAK2 O60674 1/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL16636620 0.87 MAP4K4 (0.41) KRASMAP4K4NR1H2NR1H3EIF2AK4
SCHEMBL19681373 0.87 KRAS (0.40) KRASPDE10AKITPDGFRBPDGFRA
SCHEMBL29765688 0.85 MAP4K4 (0.40) KRASMAP4K4NR1H2NR1H3EIF2AK4
SCHEMBL16637206 0.85 MAP4K4 (0.40) KRASMAP4K4NR1H2NR1H3EIF2AK4
SCHEMBL21415547 0.85 MAP4K4 (0.41) KRASMAP4K4NR1H2NR1H3EIF2AK4
SCHEMBL16636999 0.83 KRAS (0.46) KRAS
SCHEMBL17026606 0.83 MAP4K4 (0.40) KRASMAP4K4EIF2AK4PDE10AKIT
SCHEMBL22560917 0.83 MAP4K4 (0.40) KRASMAP4K4EIF2AK4PDE10AKIT
SCHEMBL16637209 0.83 MAP4K4 (0.40) KRASMAP4K4EIF2AK4PDE10AKIT
SCHEMBL29765753 0.83 MAP4K4 (0.40) KRASMAP4K4EIF2AK4PDE10AKIT

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-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-20210188869-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2021-06-24 US disclosed
EP-3193851-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER Araxes Pharma LLC (US) 2017-07-26 EP disclosed
EP-3055290-A1 INHIBITORS OF KRAS G12C Araxes Pharma LLC (US) 2016-08-17 EP 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
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 KRAS 1/4885MAP4K4 559/4885NR1H2 2945/4885
US-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885MAP4K4 568/4885NR1H2 3336/4885
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885MAP4K4 266/4885NR1H2 3409/4885
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885MAP4K4 266/4885NR1H2 3409/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885MAP4K4 559/4885NR1H2 2945/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885MAP4K4 559/4885NR1H2 2945/4885
US-20240043441-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885MAP4K4 559/4885NR1H2 2945/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885MAP4K4 559/4885NR1H2 2945/4885
US-20220242875-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885MAP4K4 559/4885NR1H2 2945/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS KRAS 1/4885MAP4K4 1204/4885NR1H2 3475/4885

“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.