SCHEMBL16636776

SCHEMBL16636776

C=CC(=O)N1CCN(c2ncnc3[nH]cc(-c4ccccc4Cl)c23)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.66
JAK3 P52333 3/20 0.51
STK3 Q13188 5/20 0.49
STK4 Q13043 3/20 0.49
CNR2 P34972 1/20 0.48
KRAS P01116 2/20 0.48
KIT P10721 3/20 0.48
AKT1 P31749 3/20 0.48
CDC7 O00311 2/20 0.47
MARK3 P27448 2/20 0.47
PLK4 O00444 1/20 0.47
CHEK1 O14757 1/20 0.47
AURKA O14965 1/20 0.47
PDPK1 O15530 1/20 0.47
JAK2 O60674 1/20 0.47
ROCK2 O75116 1/20 0.47
PAK4 O96013 1/20 0.47
CHEK2 O96017 1/20 0.47
EGFR P00533 1/20 0.47
NTRK1 P04629 1/20 0.47

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
SCHEMBL21415494 0.82 LRRK2 (0.65) LRRK2JAK3STK3STK4KIT
SCHEMBL16637074 0.82 LRRK2 (0.61) LRRK2STK3STK4CNR2KIT
SCHEMBL16647000 0.80 KMT2A (0.55) CNR2KRAS
SCHEMBL31301669 0.80 LRRK2 (1.00) LRRK2STK3STK4
SCHEMBL15400752 0.80 LRRK2 (1.00) LRRK2STK3STK4
SCHEMBL28129919 0.78 LRRK2 (0.61) LRRK2JAK3STK3STK4CNR2
SCHEMBL16646833 0.77 KRAS (0.70) KRAS
SCHEMBL16636876 0.77 KRAS (0.65) KRAS
SCHEMBL29765776 0.77 KRAS (0.70) KRAS
SCHEMBL29765768 0.77 KRAS (0.65) 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 47 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-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-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US 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
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
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 (8 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 LRRK2 53/4885JAK3 2002/4885STK3 333/4885
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS LRRK2 63/4885JAK3 1798/4885STK3 272/4885
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS LRRK2 63/4885JAK3 1798/4885STK3 272/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS LRRK2 40/4885JAK3 2638/4885STK3 556/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS LRRK2 40/4885JAK3 2638/4885STK3 556/4885
US-20240043441-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS LRRK2 40/4885JAK3 2638/4885STK3 556/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS LRRK2 40/4885JAK3 2638/4885STK3 556/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS LRRK2 2016/4885JAK3 1863/4885STK3 1090/4885

“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.