SCHEMBL16636893

SCHEMBL16636893

CC(C)(C)C1CN(c2nc(N)nc3cc(Cl)c(Br)cc23)CCN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 16/20 0.38
HRH3 Q9Y5N1 5/20 0.35
SLC6A7 Q99884 1/20 0.34
KRAS P01116 1/20 0.34
KCNH2 Q12809 2/20 0.33
LIMK2 P53671 1/20 0.32
PTGFR P43088 1/20 0.32

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
SCHEMBL16636880 0.90 SMN1; SMN2 (0.36) HRH4SLC6A7KRASLIMK2PTGFR
SCHEMBL16637134 0.84 HRH4 (0.39) HRH4HRH3SLC6A7KRAS
SCHEMBL16637903 0.77 KRAS (0.36) HRH4KRASLIMK2PTGFR
SCHEMBL16636895 0.75 TLR9 (0.49) HRH4KCNH2
SCHEMBL16637260 0.72 SLC6A7 (0.38) SLC6A7KRAS
SCHEMBL4785138 0.72 HRH4 (0.61) HRH4HRH3
SCHEMBL16637087 0.71 NR1H2 (0.36) KRAS
SCHEMBL16637220 0.71 KRAS (0.44) HRH4KRASPTGFR
SCHEMBL28997421 0.70 KRAS (0.38) KRAS
SCHEMBL28997418 0.70 KRAS (0.38) 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 1970/4885HRH3 1829/4885SLC6A7 3167/4885
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS HRH4 1745/4885HRH3 1591/4885SLC6A7 1294/4885
US-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C KRAS, NRAS, HRAS HRH4 1674/4885HRH3 1618/4885SLC6A7 1416/4885
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS HRH4 1070/4885HRH3 1094/4885SLC6A7 2498/4885
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS HRH4 1070/4885HRH3 1094/4885SLC6A7 2498/4885
US-10111874-B2 Combination therapies for treatment of cancer KRAS, TP53, HRAS HRH4 4029/4885HRH3 3905/4885SLC6A7 3107/4885
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS HRH4 1070/4885HRH3 1094/4885SLC6A7 2498/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS HRH4 1970/4885HRH3 1829/4885SLC6A7 3167/4885
US-10370386-B2 Substituted quinolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS HRH4 1026/4885HRH3 876/4885SLC6A7 1995/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS HRH4 1970/4885HRH3 1829/4885SLC6A7 3167/4885
US-20240043441-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS HRH4 1970/4885HRH3 1829/4885SLC6A7 3167/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS HRH4 1970/4885HRH3 1829/4885SLC6A7 3167/4885
US-20220242875-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS HRH4 1970/4885HRH3 1829/4885SLC6A7 3167/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS HRH4 4029/4885HRH3 3905/4885SLC6A7 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.