SCHEMBL16117656

SCHEMBL16117656

C=CC(=O)N(CCC)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 2/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
HPGD P15428 2/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL23420948 0.89 ALDH1A1 (0.33) ZDHHC20ZDHHC2ALDH1A1TSHR
SCHEMBL2838402 0.88 ZDHHC20 (0.42) ZDHHC20ZDHHC2ALDH1A1TSHRHPGD
SCHEMBL23420285 0.85 ZDHHC20 (0.35) ZDHHC20ZDHHC2ALDH1A1TSHR
SCHEMBL23420701 0.85 ZDHHC20 (0.39) ZDHHC20ZDHHC2ALDH1A1TSHR
SCHEMBL23420698 0.83 ZDHHC20 (0.41) ZDHHC20ZDHHC2ALDH1A1TSHR
SCHEMBL16117666 0.83 ZDHHC20 (0.31) ZDHHC20ZDHHC2ALDH1A1TSHR
SCHEMBL23421666 0.83 ZDHHC20 (0.41) ZDHHC20ZDHHC2ALDH1A1TSHR
SCHEMBL20943430 0.83 ALDH1A1 (0.37) ZDHHC20ZDHHC2ALDH1A1TSHR
SCHEMBL6886200 0.82 ZDHHC20 (0.30) ZDHHC20ZDHHC2
SCHEMBL24160857 0.79 ALDH1A1 (0.31) ALDH1A1HPGDCA12CA2CA9

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49687-E1 Thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-10-10 US disclosed
US-RE49687-E1 Thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-10-10 US disclosed
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
US-11639346-B2 Quinazoline derivatives as modulators of mutant KRAS, HRAS or NRAS ARAXES PHARMA LLC (US) 2023-05-02 US disclosed
US-20180194748-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2018-07-12 US disclosed
US-10011600-B2 Methods and compositions for inhibition of Ras ARAXES PHARMA LLC (US) 2018-07-03 US disclosed
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-05-03 US disclosed
US-20180105531-A1 METHODS AND COMPOSITIONS FOR INHIBITING THE INTERACTION OF MENIN WITH MLL PROTEINS WELLSPRING BIOSCIENCES LLC 2018-04-19 US disclosed
US-20180086753-A1 FUSED-TRICYCLIC INHIBITORS OF KRAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2018-03-29 US disclosed
US-9926267-B2 Covalent inhibitors of K-Ras G12C ARAXES PHARMA LLC (US) 2018-03-27 US disclosed
US-20170247391-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF WELLSPRING BIOSCIENCES LLC 2017-08-31 US disclosed
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2017-07-13 US disclosed
US-20170131278-A1 METHOD FOR SCREENING INHIBITORS OF RAS ARAXES PHARMA LLC 2017-05-11 US disclosed
US-20170022184-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2017-01-26 US disclosed
US-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2016-10-13 US disclosed
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2016-06-09 US disclosed
US-20160108019-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC 2016-04-21 US disclosed
US-9227978-B2 Covalent inhibitors of Kras G12C ARAXES PHARMA LLC (US) 2016-01-05 US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 US disclosed
US-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2014-09-25 US 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 (15 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-20180194748-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS ZDHHC20 4770/4885ZDHHC2 4726/4885ALDH1A1 2059/4885
US-20160108019-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS KRAS, NRAS, HRAS ZDHHC20 4670/4885ZDHHC2 4641/4885ALDH1A1 3457/4885
US-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ZDHHC20 1398/4885ZDHHC2 1514/4885ALDH1A1 2706/4885
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ZDHHC20 1398/4885ZDHHC2 1514/4885ALDH1A1 2706/4885
US-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS ZDHHC20 4865/4885ZDHHC2 4838/4885ALDH1A1 3753/4885
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ZDHHC20 4744/4885ZDHHC2 4560/4885ALDH1A1 4009/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ZDHHC20 4128/4885ZDHHC2 3946/4885ALDH1A1 4178/4885
US-11639346-B2 Quinazoline derivatives as modulators of mutant KRAS, HRAS or NRAS KRAS, NRAS, HRAS ZDHHC20 4864/4885ZDHHC2 4847/4885ALDH1A1 3346/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ZDHHC20 4128/4885ZDHHC2 3946/4885ALDH1A1 4178/4885
US-20180086753-A1 FUSED-TRICYCLIC INHIBITORS OF KRAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS ZDHHC20 4018/4885ZDHHC2 4200/4885ALDH1A1 2646/4885
US-20180105531-A1 METHODS AND COMPOSITIONS FOR INHIBITING THE INTERACTION OF MENIN WITH MLL PROTEINS MLLT1, MEN1, BMI1 ZDHHC20 1693/4885ZDHHC2 1236/4885ALDH1A1 4605/4885
US-20170022184-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS ZDHHC20 4770/4885ZDHHC2 4726/4885ALDH1A1 2059/4885
US-20170247391-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF MLLT1, MEN1, TERF2IP ZDHHC20 2886/4885ZDHHC2 2159/4885ALDH1A1 3239/4885
US-10011600-B2 Methods and compositions for inhibition of Ras KRAS, NRAS, HRAS ZDHHC20 2560/4885ZDHHC2 2758/4885ALDH1A1 3979/4885
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF KRAS, NRAS, HRAS ZDHHC20 4810/4885ZDHHC2 4755/4885ALDH1A1 3333/4885

“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.