SCHEMBL16636968

SCHEMBL16636968

O=C(O)CC1CN(C(=O)OCc2ccccc2)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
OPRK1 P41145 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP2C19 P33261 1/20 0.51
PDK1 Q15118 1/20 0.51
PDK2 Q15119 1/20 0.51
PDK3 Q15120 1/20 0.51
PDK4 Q16654 1/20 0.51
PARP1 P09874 1/20 0.49
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
GRIN2B Q13224 1/20 0.44

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
SCHEMBL16637186 0.90 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AOPRK1MEN1
SCHEMBL12172479 0.90 PARP1 (0.62) SMN1; SMN2NPC1RAB9AOPRK1MEN1
SCHEMBL780685 0.88 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AOPRK1MEN1
SCHEMBL14105272 0.88 OPRK1 (0.52) SMN1; SMN2NPC1RAB9AOPRK1MEN1
SCHEMBL18150033 0.87 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AOPRK1MEN1
SCHEMBL16636970 0.86 PDK1 (0.53) SMN1; SMN2NPC1RAB9AOPRK1MEN1
SCHEMBL14105902 0.86 PDK1 (0.53) SMN1; SMN2NPC1RAB9AOPRK1MEN1
SCHEMBL21528020 0.84 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AOPRK1MEN1
SCHEMBL21528019 0.84 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AOPRK1MEN1
SCHEMBL7647340 0.83 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AOPRK1MEN1

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 35 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-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
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 (11 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 SMN1; SMN2 1888/4885NPC1 3306/4885RAB9A 33/4885
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS SMN1; SMN2 2196/4885NPC1 2337/4885RAB9A 77/4885
US-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C KRAS, NRAS, HRAS SMN1; SMN2 2284/4885NPC1 3794/4885RAB9A 17/4885
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS SMN1; SMN2 2243/4885NPC1 3949/4885RAB9A 32/4885
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS SMN1; SMN2 2243/4885NPC1 3949/4885RAB9A 32/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS SMN1; SMN2 1888/4885NPC1 3306/4885RAB9A 33/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS SMN1; SMN2 1888/4885NPC1 3306/4885RAB9A 33/4885
US-20240043441-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS SMN1; SMN2 1888/4885NPC1 3306/4885RAB9A 33/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS SMN1; SMN2 1888/4885NPC1 3306/4885RAB9A 33/4885
US-20220242875-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS SMN1; SMN2 1888/4885NPC1 3306/4885RAB9A 33/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS SMN1; SMN2 3583/4885NPC1 3576/4885RAB9A 764/4885

“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.