SCHEMBL16637134

SCHEMBL16637134

CC(C)(C)C1CN(c2nc(N)nc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CCN1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.39
SLC6A7 Q99884 1/20 0.39
SMO Q99835 1/20 0.38
KRAS P01116 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PRKAB2 O43741 2/20 0.35
PRKAG1 P54619 2/20 0.35
PRKAA2 P54646 2/20 0.35
PRKAA1 Q13131 2/20 0.35
PRKAG3 Q9UGI9 2/20 0.35
PRKAG2 Q9UGJ0 2/20 0.35
PRKAB1 Q9Y478 2/20 0.35
CNR1 P21554 5/20 0.35
CNR2 P34972 5/20 0.35
HRH3 Q9Y5N1 2/20 0.34
HRH1 P35367 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
SCHEMBL16637260 0.88 SLC6A7 (0.38) SLC6A7SMOKRASPRKAB2PRKAG1
SCHEMBL16637097 0.86 KRAS (0.43) SLC6A7SMOKRAS
SCHEMBL16636893 0.84 HRH4 (0.38) HRH4SLC6A7KRASHRH3
SCHEMBL16637112 0.79 KRAS (0.37) SLC6A7SMOKRASPRKAB2PRKAG1
SCHEMBL21415473 0.78 PRKAB2 (0.49) HRH4PDE4APDE4BPDE4CPDE4D
SCHEMBL16637135 0.78 TLR9 (0.48) HRH4PDE4APDE4BPDE4CPDE4D
SCHEMBL16637100 0.75 KRAS (0.40) SMOKRASPRKAB2PRKAG1PRKAA2
SCHEMBL16636880 0.75 SMN1; SMN2 (0.36) HRH4SLC6A7SMOKRAS
SCHEMBL16636765 0.75 KRAS (0.49) KRAS
SCHEMBL29765995 0.75 KRAS (0.49) KRAS

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 24 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-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-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2021-02-23 US disclosed
EP-3193851-B1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2020-10-21 EP disclosed
US-10370386-B2 Substituted quinolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2019-08-06 US disclosed
US-10111874-B2 Combination therapies for treatment of cancer ARAXES PHARMA LLC (US) 2018-10-30 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
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
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
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 (14 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 HRH4 1970/4885SLC6A7 3167/4885SMO 2587/4885
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS HRH4 1745/4885SLC6A7 1294/4885SMO 2897/4885
US-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C KRAS, NRAS, HRAS HRH4 1674/4885SLC6A7 1416/4885SMO 1829/4885
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS HRH4 1070/4885SLC6A7 2498/4885SMO 3090/4885
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS HRH4 1070/4885SLC6A7 2498/4885SMO 3090/4885
US-10111874-B2 Combination therapies for treatment of cancer KRAS, TP53, HRAS HRH4 4029/4885SLC6A7 3107/4885SMO 265/4885
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS HRH4 1070/4885SLC6A7 2498/4885SMO 3090/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS HRH4 1970/4885SLC6A7 3167/4885SMO 2587/4885
US-10370386-B2 Substituted quinolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS HRH4 1026/4885SLC6A7 1995/4885SMO 2797/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS HRH4 1970/4885SLC6A7 3167/4885SMO 2587/4885
US-20240043441-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS HRH4 1970/4885SLC6A7 3167/4885SMO 2587/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS HRH4 1970/4885SLC6A7 3167/4885SMO 2587/4885
US-20220242875-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS HRH4 1970/4885SLC6A7 3167/4885SMO 2587/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS HRH4 4029/4885SLC6A7 3107/4885SMO 265/4885

“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.