SCHEMBL21666073

SCHEMBL21666073

CC(C)(C)c1cc2ccsc2cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
DYRK1A Q13627 1/20 0.35
GRM4 Q14833 1/20 0.35
CYP2A6 P11509 2/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
PPARG P37231 1/20 0.33
HTT P42858 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
CHRNA7 P36544 3/20 0.32
KCNH2 Q12809 2/20 0.32
CA12 O43570 2/20 0.32
CA2 P00918 2/20 0.32
KDM1A O60341 1/20 0.32
PTPRC P08575 1/20 0.32
PTPN6 P29350 1/20 0.32

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
SCHEMBL26781843 0.85 GRM4 (0.35) KDM4EDYRK1AGRM4CYP2A6CHRNA7
SCHEMBL157982 0.75 CYP2A6 (0.47) KDM4EDYRK1AGRM4CYP2A6ALDH1A1
SCHEMBL660629 0.71 DYRK1A (0.38) KDM4EDYRK1AGRM4CYP2A6ALDH1A1
SCHEMBL659606 0.71 DYRK1A (0.38) KDM4EDYRK1AGRM4CYP2A6ALDH1A1
SCHEMBL657606 0.71 DYRK1A (0.50) KDM4EDYRK1AGRM4CYP2A6ALDH1A1
SCHEMBL659466 0.71 GRM4 (0.40) KDM4EDYRK1AGRM4CYP2A6ALDH1A1
SCHEMBL8114596 0.71 DYRK1A (0.38) KDM4EDYRK1AGRM4CYP2A6ALDH1A1
SCHEMBL12749940 0.70 KDM4E (0.38) KDM4EDYRK1AGRM4CYP2A6ALDH1A1
SCHEMBL22430462 0.70 KDM4E (0.41) KDM4EDYRK1AGRM4CYP2A6ALDH1A1
SCHEMBL20631749 0.70 KDM4E (0.41) KDM4EDYRK1AGRM4CYP2A6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814379-B2 Cyano quinoline amide compounds as HER2 inhibitors and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-11-14 US disclosed
US-20210355119-A1 CYANO QUINOLINE AMIDE COMPOUNDS AS HER2 INHIBITORS AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. 2021-11-18 US disclosed
WO-2020021064-A1 SUBSTITUTED QUINAZOLINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 DOMAIN THERAPEUTICS (FR) 2020-01-30 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 (2 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-11814379-B2 Cyano quinoline amide compounds as HER2 inhibitors and methods of use ERBB2, EGFR, ERBB3 KDM4E 3631/4885DYRK1A 727/4885GRM4 3871/4885
US-20210355119-A1 CYANO QUINOLINE AMIDE COMPOUNDS AS HER2 INHIBITORS AND METHODS OF USE ERBB2, EGFR, ERBB3 KDM4E 3545/4885DYRK1A 759/4885GRM4 3942/4885

“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.