SCHEMBL16637543

SCHEMBL16637543

O=C(O)N1CCN(c2ccnc3cc(Cl)c(-c4ccccc4Cl)cc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
CLK1 P49759 1/20 0.50
CCR5 P51681 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
IDE P14735 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPK1 P28482 2/20 0.48
MAPT P10636 1/20 0.48
STAT3 P40763 1/20 0.48
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47
PDGFRB P09619 2/20 0.46

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
SCHEMBL16637622 0.88 ALDH1A1 (0.48) ALDH1A1CLK1CCR5SMN1; SMN2IDE
SCHEMBL29765715 0.88 ALDH1A1 (0.48) ALDH1A1CLK1CCR5SMN1; SMN2IDE
SCHEMBL29765687 0.86 IDE (0.51) ALDH1A1CLK1CCR5SMN1; SMN2IDE
SCHEMBL16636781 0.86 IDE (0.51) ALDH1A1CLK1CCR5SMN1; SMN2IDE
SCHEMBL21937296 0.84 ALDH1A1 (0.43) ALDH1A1CLK1CCR5SMN1; SMN2IDE
SCHEMBL16637496 0.81 CLK1 (0.54) ALDH1A1CLK1CCR5SMN1; SMN2IDE
SCHEMBL17608720 0.80 IDE (0.46) ALDH1A1CLK1CCR5IDEMEN1
SCHEMBL21891469 0.79 NPC1 (0.41) ALDH1A1CLK1CCR5SMN1; SMN2IDE
SCHEMBL29765938 0.75 KRAS (0.52) ALDH1A1CLK1CCR5SMN1; SMN2IDE
SCHEMBL16646862 0.75 KRAS (0.52) ALDH1A1CLK1CCR5SMN1; SMN2IDE

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-3636639-A1 INHIBITORS OF KRAS G12C Araxes Pharma LLC (US) 2020-04-15 EP disclosed
US-20200102321-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2020-04-02 US disclosed
EP-3055290-B1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2019-10-02 EP disclosed
US-20190262342-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2019-08-29 US 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 (13 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 ALDH1A1 4178/4885CLK1 1850/4885CCR5 3635/4885
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS ALDH1A1 2326/4885CLK1 1023/4885CCR5 897/4885
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS ALDH1A1 4009/4885CLK1 659/4885CCR5 3427/4885
US-20200102321-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 4009/4885CLK1 659/4885CCR5 3427/4885
US-10111874-B2 Combination therapies for treatment of cancer KRAS, TP53, HRAS ALDH1A1 1577/4885CLK1 3440/4885CCR5 3299/4885
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 4009/4885CLK1 659/4885CCR5 3427/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 4178/4885CLK1 1850/4885CCR5 3635/4885
US-10370386-B2 Substituted quinolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS ALDH1A1 3675/4885CLK1 1533/4885CCR5 3573/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 4178/4885CLK1 1850/4885CCR5 3635/4885
US-20190262342-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS ALDH1A1 1577/4885CLK1 3440/4885CCR5 3299/4885
US-20240043441-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 4178/4885CLK1 1850/4885CCR5 3635/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 4178/4885CLK1 1850/4885CCR5 3635/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS ALDH1A1 1577/4885CLK1 3440/4885CCR5 3299/4885

“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.