SCHEMBL20204909

SCHEMBL20204909

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)CC(S)CN(C)C

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.80
ERBB2 P04626 4/20 0.80
STK4 Q13043 10/20 0.80
STK3 Q13188 12/20 0.78
SRC P12931 2/20 0.74
KDR P35968 2/20 0.74
STK25 O00506 1/20 0.74
MAP2K7 O14733 1/20 0.74
CHEK1 O14757 1/20 0.74
GAK O14976 1/20 0.74
EPHB6 O15197 1/20 0.74
ABCC4 O15439 1/20 0.74
MAP3K13 O43283 1/20 0.74
NUAK1 O60285 1/20 0.74
STK17B O94768 1/20 0.74
STK10 O94804 1/20 0.74
PRKD3 O94806 1/20 0.74
ABCB11 O95342 1/20 0.74
MAP4K4 O95819 1/20 0.74
CHEK2 O96017 1/20 0.74

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
SCHEMBL2386736 0.93 EGFR (0.81) EGFRERBB2STK4STK3SRC
SCHEMBL33530218 0.93 EGFR (0.81) EGFRERBB2STK4STK3SRC
SCHEMBL13445964 0.91 EGFR (0.78) EGFRERBB2STK4STK3SRC
SCHEMBL3471317 0.89 EGFR (1.00) EGFRERBB2STK4STK3SRC
SCHEMBL22419770 0.89 STK4 (1.00) EGFRERBB2STK4STK3SRC
SCHEMBL22419640 0.88 STK4 (0.90) EGFRERBB2STK4STK3SRC
SCHEMBL22419655 0.88 STK4 (1.00) EGFRERBB2STK4STK3
SCHEMBL31661503 0.88 STK4 (1.00) EGFRERBB2STK4STK3
SCHEMBL20204907 0.87 STK4 (0.86) EGFRERBB2STK4STK3SRC
SCHEMBL3476976 0.87 STK4 (0.88) EGFRERBB2STK4STK3SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-17 US disclosed
US-10969394-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-06 US disclosed
US-20210072254-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes DANA-FARBER CANCER INSTITUTE, INC. 2021-03-11 US disclosed
US-20190346454-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes DANA-FARBER CANCER INSTITUTE, INC. 2019-11-14 US disclosed
WO-2018098473-A1 REAGENTS AND METHODS FOR ANALYSIS OF PROTEINS AND METABOLITES TARGETED BY COVALENT PROBES DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-31 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 (4 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-10969394-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes PTMS, SRMS, HSP90B1 EGFR 3656/4885ERBB2 3194/4885STK4 2694/4885
US-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes PTMS, SRMS, HSP90B1 EGFR 3656/4885ERBB2 3194/4885STK4 2694/4885
US-20210072254-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 EGFR 3656/4885ERBB2 3194/4885STK4 2694/4885
US-20190346454-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 EGFR 3656/4885ERBB2 3194/4885STK4 2694/4885

“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.