SCHEMBL16637222

SCHEMBL16637222

O=C(O)N1CCN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CC1CO

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.42
KRAS P01116 4/20 0.41
SLC6A7 Q99884 1/20 0.41
KIT P10721 6/20 0.40
PDGFRB P09619 4/20 0.40
PDGFRA P16234 3/20 0.40
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR7 P34969 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
PDE10A Q9Y233 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL16636837 0.89 KRAS (0.51) KRAS
SCHEMBL29765831 0.89 KRAS (0.51) KRAS
SCHEMBL29765868 0.89 KRAS (0.51) KRAS
SCHEMBL16646910 0.89 KRAS (0.51) KRAS
SCHEMBL16636839 0.89 KRAS (0.51) KRAS
SCHEMBL16636944 0.87 PDGFRB (0.40) AKT1KRASKITPDGFRBPDGFRA
SCHEMBL22560920 0.87 PDGFRB (0.40) AKT1KRASKITPDGFRBPDGFRA
SCHEMBL29765689 0.87 PDGFRB (0.40) AKT1KRASKITPDGFRBPDGFRA
SCHEMBL29765648 0.87 PDGFRB (0.40) AKT1KRASKITPDGFRBPDGFRA
SCHEMBL16636943 0.87 PDGFRB (0.40) AKT1KRASKITPDGFRBPDGFRA

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 25 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 AKT1 39/4885KRAS 1/4885SLC6A7 3167/4885
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS AKT1 33/4885KRAS 1/4885SLC6A7 1294/4885
US-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C KRAS, NRAS, HRAS AKT1 83/4885KRAS 1/4885SLC6A7 1416/4885
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS AKT1 45/4885KRAS 1/4885SLC6A7 2498/4885
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS AKT1 45/4885KRAS 1/4885SLC6A7 2498/4885
US-10111874-B2 Combination therapies for treatment of cancer KRAS, TP53, HRAS AKT1 124/4885KRAS 1/4885SLC6A7 3107/4885
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS AKT1 45/4885KRAS 1/4885SLC6A7 2498/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS AKT1 39/4885KRAS 1/4885SLC6A7 3167/4885
US-10370386-B2 Substituted quinolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS AKT1 53/4885KRAS 1/4885SLC6A7 1995/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS AKT1 39/4885KRAS 1/4885SLC6A7 3167/4885
US-20240043441-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS AKT1 39/4885KRAS 1/4885SLC6A7 3167/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS AKT1 39/4885KRAS 1/4885SLC6A7 3167/4885
US-20220242875-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS AKT1 39/4885KRAS 1/4885SLC6A7 3167/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS AKT1 124/4885KRAS 1/4885SLC6A7 3107/4885

“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.