SCHEMBL22598685

SCHEMBL22598685

C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(OC(F)(F)F)c(Cl)c4)c(C#N)cnc3cc2OC)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 1.00
ERBB2 P04626 11/20 0.83
ABL1 P00519 1/20 0.55
SRC P12931 1/20 0.55
ABL2 P42684 1/20 0.55

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
SCHEMBL29752007 1.00 EGFR (1.00) EGFRERBB2ABL1SRCABL2
SCHEMBL29444159 0.91 ERBB2 (1.00) EGFRERBB2SRC
SCHEMBL22590126 0.91 ERBB2 (1.00) EGFRERBB2SRC
SCHEMBL29444165 0.91 ERBB2 (1.00) EGFRERBB2SRC
SCHEMBL22598672 0.89 EGFR (1.00) EGFRERBB2
SCHEMBL29752032 0.89 EGFR (1.00) EGFRERBB2
SCHEMBL22598687 0.87 EGFR (1.00) EGFRERBB2
SCHEMBL29751938 0.87 EGFR (1.00) EGFRERBB2
SCHEMBL22598674 0.86 EGFR (1.00) EGFRERBB2ABL1SRCABL2
SCHEMBL29751985 0.86 EGFR (1.00) EGFRERBB2ABL1SRCABL2

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-11365189-B2 Heterocyclic inhibitors of tyrosine kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-06-21 US disclosed
US-11365189-B2 Heterocyclic inhibitors of tyrosine kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-06-21 US disclosed
US-20200354343-A1 HETEROCYCLIC INHIBITORS OF TYROSINE KINASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2020-11-12 US disclosed
US-20200354343-A1 HETEROCYCLIC INHIBITORS OF TYROSINE KINASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2020-11-12 US disclosed
WO-2020219904-A1 HETEROCYCLIC INHIBITORS OF TYROSINE KINASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-10-29 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-20200354343-A1 HETEROCYCLIC INHIBITORS OF TYROSINE KINASE ERBB2, ERBB3, EGFR EGFR 3/4885ERBB2 1/4885ABL1 5/4885
US-11365189-B2 Heterocyclic inhibitors of tyrosine kinase ERBB2, ERBB3, EGFR EGFR 3/4885ERBB2 1/4885ABL1 5/4885

“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.