SCHEMBL17030773

SCHEMBL17030773

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

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.42
USP2 O75604 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL22446404 0.81 MEN1 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL21882563 0.80 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPT
SCHEMBL22174558 0.78 MEN1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL22757501 0.76 MEN1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL15441 0.76 KDM4E (0.42) ALDH1A1KMT2AKDM4E
SCHEMBL16646930 0.76 EGFR (0.32) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL15440 0.76 KDM4E (0.42) ALDH1A1KMT2AKDM4E
SCHEMBL22246044 0.76 KDM4E (0.42) ALDH1A1KMT2AKDM4E
SCHEMBL21370887 0.75 MEN1 (0.32) ALDH1A1MEN1KMT2A
SCHEMBL21160710 0.75 CTSK (0.33) ALDH1A1MEN1KMT2A

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 91 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-11771689-B2 Cereblon modulators and uses thereof VIVIDION THERAPEUTICS, INC. (US) 2023-10-03 US disclosed
US-11771689-B2 Cereblon modulators and uses thereof VIVIDION THERAPEUTICS, INC. (US) 2023-10-03 US disclosed
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
US-11673898-B2 Substituted inhibitors of menin-MLL and methods of use KURA ONCOLOGY, INC. (US) 2023-06-13 US disclosed
US-11673898-B2 Substituted inhibitors of menin-MLL and methods of use KURA ONCOLOGY, INC. (US) 2023-06-13 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-20220298213-A1 IN VIVO ENGINEERED CEREBLON PROTEIN VIVIDION THERAPEUTICS, INC. 2022-09-22 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-20170131278-A1 METHOD FOR SCREENING INHIBITORS OF RAS ARAXES PHARMA LLC 2017-05-11 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-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 (12 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-20220298213-A1 IN VIVO ENGINEERED CEREBLON PROTEIN CRBN, CDR2, DCUN1D4 ALDH1A1 2798/4885MEN1 425/4885KMT2A 607/4885
US-20160108019-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS KRAS, NRAS, HRAS ALDH1A1 3457/4885MEN1 102/4885KMT2A 1188/4885
US-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS ALDH1A1 3753/4885MEN1 122/4885KMT2A 1296/4885
US-20230147053-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS ALDH1A1 1402/4885MEN1 230/4885KMT2A 2102/4885
US-11771689-B2 Cereblon modulators and uses thereof CRBN, CBFB, CNN2 ALDH1A1 3814/4885MEN1 1672/4885KMT2A 3580/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 4178/4885MEN1 138/4885KMT2A 850/4885
US-11639346-B2 Quinazoline derivatives as modulators of mutant KRAS, HRAS or NRAS KRAS, NRAS, HRAS ALDH1A1 3346/4885MEN1 132/4885KMT2A 718/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 4178/4885MEN1 138/4885KMT2A 850/4885
US-20170022184-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS ALDH1A1 2059/4885MEN1 170/4885KMT2A 1250/4885
US-11673898-B2 Substituted inhibitors of menin-MLL and methods of use MLLT1, MEN1, MLLT3 ALDH1A1 4032/4885MEN1 2/4885KMT2A 5/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS ALDH1A1 1577/4885MEN1 872/4885KMT2A 1502/4885
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF KRAS, NRAS, HRAS ALDH1A1 3333/4885MEN1 103/4885KMT2A 752/4885

“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.