SCHEMBL16636885

SCHEMBL16636885

C=CC(=O)N1CCN(c2nccc3cc(Cl)ccc23)CC1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KRAS P01116 4/20 0.39
ALDH1A1 P00352 1/20 0.37
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
CLK1 P49759 1/20 0.36
KIT P10721 3/20 0.36
CCR5 P51681 1/20 0.36
IDE P14735 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
EGFR P00533 1/20 0.36
BMX P51813 1/20 0.36
BTK Q06187 1/20 0.36
ITK Q08881 1/20 0.36
AVPR1A P37288 1/20 0.35
MAPK1 P28482 2/20 0.35
MAPT P10636 1/20 0.35
STAT3 P40763 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL29765657 0.84 KRAS (0.40) KRASALDH1A1HTR1AHTR1DHTR1B
SCHEMBL16636875 0.84 KRAS (0.40) KRASALDH1A1HTR1AHTR1DHTR1B
SCHEMBL29765906 0.75 KRAS (0.51) KRAS
SCHEMBL16646948 0.75 KRAS (0.51) KRAS
SCHEMBL16636858 0.75 KRAS (0.51) KRAS
SCHEMBL16636857 0.75 KRAS (0.51) KRAS
SCHEMBL29765783 0.75 KRAS (0.51) KRAS
SCHEMBL16637446 0.74 EIF2AK4 (0.41) ALDH1A1HTR1AHTR1DHTR1BCLK1
SCHEMBL21937651 0.72 KRAS (0.38) KRASHTR1AHTR1DHTR1BBTK
SCHEMBL16637417 0.72 KRAS (0.49) 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 44 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-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-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 (10 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 KRAS 1/4885ALDH1A1 4178/4885HTR1A 3934/4885
US-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885ALDH1A1 3870/4885HTR1A 3863/4885
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885ALDH1A1 4009/4885HTR1A 3443/4885
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885ALDH1A1 4009/4885HTR1A 3443/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885ALDH1A1 4178/4885HTR1A 3934/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885ALDH1A1 4178/4885HTR1A 3934/4885
US-20240043441-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885ALDH1A1 4178/4885HTR1A 3934/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885ALDH1A1 4178/4885HTR1A 3934/4885
US-20220242875-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885ALDH1A1 4178/4885HTR1A 3934/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS KRAS 1/4885ALDH1A1 1577/4885HTR1A 4840/4885

“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.