Sugi Predict

Sugi Predict / Compounds / SCHEMBL17030776

SCHEMBL17030776

SCHEMBL17030776

CC(C)(C)C(=O)/C(C#N)=C/c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.54
▸ MEN1 O00255 5/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ MAPT P10636 6/20 0.54
▸ RAB9A P51151 6/20 0.51
▸ NPC1 O15118 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ GAA P10253 1/20 0.41
▸ ATM Q13315 2/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL16646924 0.84 RAB9A (0.54) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL10906195 0.83 RAB9A (0.55) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL21891546 0.82 RAB9A (0.51) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL25670655 0.81 MCL1 (0.58) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL18164148 0.81 RAB9A (0.54) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL23952404 0.81 L3MBTL1 (0.52) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL21164669 0.81 RAB9A (0.50) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL24091682 0.80 STAT3 (0.56) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL19695746 0.80 MAPT (0.38) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL23373761 0.78 ALDH1A1 (0.73) KMT2AMEN1ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 — — US disclosed
US-20230212170-A1 INHIBITORS OF KRAS G12C PROTEIN AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-07-06 — — US disclosed
US-20230147053-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2023-05-11 — — 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-11377441-B2 Covalent inhibitors of KRAS ARAXES PHARMA LLC (US) 2022-07-05 — — US disclosed
US-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2021-10-14 — — US disclosed
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2021-02-23 — — US disclosed
US-20210024501-A1 COVALENT INHIBITORS OF KRAS ARAXES PHARMA LLC 2021-01-28 — — US disclosed
US-10875842-B2 Inhibitors of KRAS G12C mutant proteins ARAXES PHARMA LLC (US) 2020-12-29 — — US disclosed
US-10858343-B2 Inhibitors of KRAS G12C mutant proteins ARAXES PHARMA LLC (US) 2020-12-08 — — US disclosed
US-20180015087-A1 CONJUGATES OF CEREBLON BINDING COMPOUNDS AND G12C MUTANT KRAS, HRAS OR NRAS PROTEIN MODULATING COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2018-01-18 — — US disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 — — US disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 — — 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-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-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-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 — — US disclosed
US-20160108019-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC 2016-04-21 — — US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 — — 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 (17 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-20180015087-A1 CONJUGATES OF CEREBLON BINDING COMPOUNDS AND G12C MUTANT KRAS, HRAS OR NRAS PROTEIN MODULATING COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS KMT2A 1707/4885MEN1 218/4885ALDH1A1 3952/4885
US-10858343-B2 Inhibitors of KRAS G12C mutant proteins KRAS, NRAS, TP53 KMT2A 932/4885MEN1 49/4885ALDH1A1 4213/4885
US-20210024501-A1 COVALENT INHIBITORS OF KRAS KRAS, NRAS, HRAS KMT2A 445/4885MEN1 148/4885ALDH1A1 1640/4885
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS KMT2A 1804/4885MEN1 38/4885ALDH1A1 2326/4885
US-11377441-B2 Covalent inhibitors of KRAS KRAS, NRAS, HRAS KMT2A 445/4885MEN1 148/4885ALDH1A1 1640/4885
US-20160108019-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS KRAS, NRAS, HRAS KMT2A 1188/4885MEN1 102/4885ALDH1A1 3457/4885
US-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS KMT2A 1296/4885MEN1 122/4885ALDH1A1 3753/4885
US-20230147053-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS KMT2A 2102/4885MEN1 230/4885ALDH1A1 1402/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KMT2A 850/4885MEN1 138/4885ALDH1A1 4178/4885
US-11639346-B2 Quinazoline derivatives as modulators of mutant KRAS, HRAS or NRAS KRAS, NRAS, HRAS KMT2A 718/4885MEN1 132/4885ALDH1A1 3346/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KMT2A 850/4885MEN1 138/4885ALDH1A1 4178/4885
US-20230212170-A1 INHIBITORS OF KRAS G12C PROTEIN AND USES THEREOF KRAS, NRAS, HRAS KMT2A 3092/4885MEN1 847/4885ALDH1A1 4502/4885
US-20170022184-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS KMT2A 1250/4885MEN1 170/4885ALDH1A1 2059/4885
US-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER KRAS, NRAS, HRAS KMT2A 2229/4885MEN1 167/4885ALDH1A1 1405/4885
US-10875842-B2 Inhibitors of KRAS G12C mutant proteins KRAS, NRAS, G3BP1 KMT2A 1157/4885MEN1 68/4885ALDH1A1 3610/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS KMT2A 1502/4885MEN1 872/4885ALDH1A1 1577/4885
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF KRAS, NRAS, HRAS KMT2A 752/4885MEN1 103/4885ALDH1A1 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.