SCHEMBL21835263

SCHEMBL21835263

Cc1ccc(Oc2ccc(Nc3ncnc4cc(C#CC(C)(C)N(C)C)c([N+](=O)[O-])cc34)cc2C)cn1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 14/20 0.49
EGFR P00533 12/20 0.49
ERBB3 P21860 1/20 0.49
ERBB4 Q15303 1/20 0.49
KCNH2 Q12809 3/20 0.47
FECH P22830 1/20 0.45
CDK8 P49336 1/20 0.45
MAP2K5 Q13163 1/20 0.45
CDK19 Q9BWU1 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43

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 0.87 ERBB2 (0.53) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL21835440 0.84 FBP1 (0.42) ERBB2EGFR
SCHEMBL21835489 0.82 EGFR (0.54) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL23406630 0.82 ERBB2 (0.50) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL23406653 0.82 ERBB2 (0.50) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL23406629 0.82 ERBB2 (0.50) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL21835410 0.82 ERBB2 (0.58) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL21835242 0.82 ERBB2 (0.58) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL23406661 0.81 ERBB2 (0.49) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL23406664 0.81 ERBB2 (0.49) ERBB2EGFRERBB3ERBB4KCNH2

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 6 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
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
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 ERBB2 1/4885EGFR 3/4885ERBB3 2/4885
US-20220363666-A1 TYROSINE KINASE INHIBITOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE ERBB2, ERBB3, EGFR ERBB2 1/4885EGFR 3/4885ERBB3 2/4885
US-20210163447-A1 TYROSINE KINASE INHIBITOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE ERBB2, ERBB3, EGFR ERBB2 1/4885EGFR 3/4885ERBB3 2/4885

“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.