Sugi Predict

Sugi Predict / Compounds / SCHEMBL16636970

SCHEMBL16636970

SCHEMBL16636970

O=C(OCc1ccccc1)N1CCN(C(=O)OCc2ccccc2)C(CCO)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 1/20 0.53
▸ PDK2 Q15119 1/20 0.53
▸ PDK3 Q15120 1/20 0.53
▸ PDK4 Q16654 1/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ OPRK1 P41145 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ PARP1 P09874 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ PDE4B Q07343 1/20 0.44
▸ 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

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
SCHEMBL14105902 1.00 PDK1 (0.53) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL28442870 0.94 PDK1 (0.52) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL28497664 0.94 SMN1; SMN2 (0.51) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL12172480 0.90 PARP1 (0.61) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL8230203 0.90 PARP1 (0.61) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL7496827 0.90 PARP1 (0.56) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL16680548 0.90 PARP1 (0.61) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL7494554 0.90 PARP1 (0.56) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL780685 0.90 SMN1; SMN2 (0.54) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL18150033 0.86 SMN1; SMN2 (0.54) PDK1PDK2PDK3PDK4SMN1; SMN2

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 34 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 PDK1 2903/4885PDK2 3771/4885PDK3 4100/4885
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS PDK1 3391/4885PDK2 3477/4885PDK3 3914/4885
US-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C KRAS, NRAS, HRAS PDK1 2798/4885PDK2 2864/4885PDK3 3303/4885
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS PDK1 2717/4885PDK2 2371/4885PDK3 2934/4885
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS PDK1 2717/4885PDK2 2371/4885PDK3 2934/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS PDK1 2903/4885PDK2 3771/4885PDK3 4100/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS PDK1 2903/4885PDK2 3771/4885PDK3 4100/4885
US-20240043441-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS PDK1 2903/4885PDK2 3771/4885PDK3 4100/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS PDK1 2903/4885PDK2 3771/4885PDK3 4100/4885
US-20220242875-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS PDK1 2903/4885PDK2 3771/4885PDK3 4100/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS PDK1 1749/4885PDK2 1992/4885PDK3 2436/4885

“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.