Sugi Predict

Sugi Predict / Compounds / SCHEMBL21835338

SCHEMBL21835338

SCHEMBL21835338

CC(C)(C)OC(=O)N1CCC(Oc2cc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3cc2[N+](=O)[O-])C1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.67
▸ ERBB2 P04626 8/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ LCK P06239 1/20 0.51
▸ EPHA2 P29317 2/20 0.49
▸ EPHB4 P54760 2/20 0.49
▸ KDR P35968 1/20 0.49

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
SCHEMBL21835564 1.00 EGFR (0.67) EGFRERBB2KCNH2LCKEPHA2
SCHEMBL23406696 0.90 EGFR (0.70) EGFRERBB2KCNH2LCKEPHA2
SCHEMBL21835342 0.90 EGFR (0.70) EGFRERBB2KCNH2LCKEPHA2
SCHEMBL23406632 0.88 EGFR (0.54) EGFRERBB2LCKEPHA2EPHB4
SCHEMBL21835412 0.88 EGFR (0.69) EGFRERBB2KCNH2LCKEPHA2
SCHEMBL23479307 0.87 EGFR (0.52) EGFRERBB2KCNH2
SCHEMBL23406601 0.87 EGFR (0.53) EGFRERBB2LCKEPHA2EPHB4
SCHEMBL21835269 0.87 EGFR (0.53) EGFRERBB2LCKEPHA2EPHB4
SCHEMBL23406641 0.87 EGFR (0.72) EGFRERBB2KCNH2
SCHEMBL29087928 0.86 EGFR (0.76) EGFRERBB2KCNH2LCKEPHA2

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 EGFR 3/4885ERBB2 1/4885KCNH2 4742/4885
US-20220363666-A1 TYROSINE KINASE INHIBITOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE ERBB2, ERBB3, EGFR EGFR 3/4885ERBB2 1/4885KCNH2 4742/4885
US-20210163447-A1 TYROSINE KINASE INHIBITOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE ERBB2, ERBB3, EGFR EGFR 3/4885ERBB2 1/4885KCNH2 4742/4885

“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.