SCHEMBL21835489

SCHEMBL21835489

C=CC(=O)Nc1cc2c(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)ncnc2cc1C#CC(C)(C)N(C)C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.54
ERBB2 P04626 13/20 0.54
STK10 O94804 1/20 0.49
YES1 P07947 1/20 0.49
TEC P42680 1/20 0.49
BTK Q06187 1/20 0.49
MAP3K1 Q13233 1/20 0.49
SLK Q9H2G2 1/20 0.49
FECH P22830 1/20 0.47
CDK8 P49336 1/20 0.47
MAP2K5 Q13163 1/20 0.47
CDK19 Q9BWU1 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
KCNH2 Q12809 3/20 0.47
ERBB3 P21860 2/20 0.46
ERBB4 Q15303 1/20 0.46
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
DUS2 Q9NX74 1/20 0.44

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
SCHEMBL21835566 0.84 ERBB2 (0.53) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL23406612 0.83 EGFR (0.55) EGFRERBB2STK10YES1TEC
SCHEMBL23406611 0.83 EGFR (0.55) EGFRERBB2STK10YES1TEC
SCHEMBL23406610 0.83 EGFR (0.55) EGFRERBB2STK10YES1TEC
SCHEMBL21835263 0.82 ERBB2 (0.49) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL4463689 0.81 EGFR (0.65) EGFRERBB2BTKFECHCDK8
SCHEMBL4461900 0.80 ERBB2 (0.61) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL23450836 0.77 EGFR (0.61) EGFRERBB2STK10YES1TEC
SCHEMBL23450993 0.77 EGFR (0.61) EGFRERBB2
SCHEMBL20395118 0.75 EGFR (0.79) EGFRERBB2FECHCDK8MAP2K5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220363666-A1 TYROSINE KINASE INHIBITOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-11-17 US disclosed
US-20220363666-A1 TYROSINE KINASE INHIBITOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-11-17 US disclosed
CN-113382986-A Tyrosine kinase inhibitor compositions, methods of making and methods of using the same 黑钻治疗公司 2021-09-10 CN disclosed
EP-3856726-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITOR, COMPOSITIONS, METHODS OF MAKING THEM AND THEIR USE Black Diamond Therapeutics, Inc. (US) 2021-08-04 EP disclosed
US-11034672-B1 Tyrosine kinase inhibitor compositions, methods of making and methods of use BLACK DIAMOND THERAPEUTICS, INC. (US) 2021-06-15 US disclosed
US-20210163447-A1 TYROSINE KINASE INHIBITOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE BLACK DIAMOND THERAPEUTICS, INC. 2021-06-03 US disclosed
US-20210163447-A1 TYROSINE KINASE INHIBITOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE BLACK DIAMOND THERAPEUTICS, INC. 2021-06-03 US disclosed
WO-2020068867-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITOR, COMPOSITIONS, METHODS OF MAKING THEM AND THEIR USE BLACK DIAMOND THERAPEUTICS, INC. (US) 2020-04-02 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 (3 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-11034672-B1 Tyrosine kinase inhibitor compositions, methods of making and methods of use ERBB2, ERBB3, EGFR EGFR 3/4885ERBB2 1/4885STK10 377/4885
US-20220363666-A1 TYROSINE KINASE INHIBITOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE ERBB2, ERBB3, EGFR EGFR 3/4885ERBB2 1/4885STK10 377/4885
US-20210163447-A1 TYROSINE KINASE INHIBITOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE ERBB2, ERBB3, EGFR EGFR 3/4885ERBB2 1/4885STK10 377/4885

“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.