SCHEMBL11903415

SCHEMBL11903415

CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(OCc4ccccn4)c(Br)c3)ncnc2cn1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.74
ERBB2 P04626 14/20 0.74
ERBB4 Q15303 7/20 0.74
JAK3 P52333 3/20 0.67
KDR P35968 1/20 0.54
LCK P06239 1/20 0.53

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
SCHEMBL11903417 1.00 EGFR (0.74) EGFRERBB2ERBB4JAK3KDR
SCHEMBL17485154 0.92 EGFR (0.61) EGFRERBB2ERBB4JAK3LCK
SCHEMBL11903198 0.91 EGFR (0.74) EGFRERBB2ERBB4JAK3KDR
SCHEMBL11903105 0.91 EGFR (0.74) EGFRERBB2ERBB4JAK3KDR
SCHEMBL11903108 0.91 EGFR (0.74) EGFRERBB2ERBB4JAK3KDR
SCHEMBL11903094 0.91 EGFR (0.74) EGFRERBB2ERBB4JAK3KDR
SCHEMBL11902871 0.85 EGFR (0.73) EGFRERBB2ERBB4JAK3KDR
SCHEMBL11902865 0.85 EGFR (0.73) EGFRERBB2ERBB4JAK3KDR
Th-4000E SCHEMBL11903013 0.82 EGFR (0.78) EGFRERBB2ERBB4JAK3KDR
Th-4000E SCHEMBL11903016 0.82 EGFR (0.78) EGFRERBB2ERBB4JAK3KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202832-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-08-09 US claimed
US-11426409-B2 Compounds, compositions and methods for treating or preventing HER-driven drug-resistant cancers THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2022-08-30 US disclosed
US-20210346383-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HER-DRIVEN CANCERS RAIN THERAPEUTICS INC. 2021-11-11 US disclosed
US-20210346383-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HER-DRIVEN CANCERS RAIN THERAPEUTICS INC. 2021-11-11 US disclosed
WO-2020205627-A1 USE OF BIOMARKER IN CANCER THERAPY RAIN THERAPEUTICS INC. (US) 2020-10-08 WO disclosed
US-20200268759-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HER-DRIVEN DRUG-RESISTANT CANCERS THE REGENTS OF THE UNIVERSITY OF COLORADO 2020-08-27 US disclosed
US-20200268759-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HER-DRIVEN DRUG-RESISTANT CANCERS THE REGENTS OF THE UNIVERSITY OF COLORADO 2020-08-27 US disclosed
WO-2020102304-A1 COMBINATION OF A KINASE INHIBITOR AND AN ELECTROLYTE, COMPOSITIONS AND METHODS COMPRISING THE SAME RAIN THERAPEUTICS INC. (US) 2020-05-22 WO disclosed
WO-2020055643-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HER-DRIVEN CANCERS RAIN THERAPEUTICS INC. (US) 2020-03-19 WO disclosed
WO-2019051155-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HER-DRIVEN DRUG-RESISTANT CANCERS THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2019-03-14 WO disclosed
US-20160031877-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-02-04 US disclosed
US-20160031877-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-02-04 US disclosed
US-9101632-B2 Kinase inhibitors, prodrug forms thereof and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-08-11 US disclosed
US-9101632-B2 Kinase inhibitors, prodrug forms thereof and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-08-11 US disclosed
US-20120202832-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-08-09 US disclosed
US-20120202832-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-08-09 US 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 (5 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-11426409-B2 Compounds, compositions and methods for treating or preventing HER-driven drug-resistant cancers EGFR, BRCA1, ERBB2 EGFR 1/4885ERBB2 3/4885ERBB4 14/4885
US-20160031877-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY ERBB2, MAP3K3, ERBB3 EGFR 110/4885ERBB2 1/4885ERBB4 50/4885
US-20200268759-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HER-DRIVEN DRUG-RESISTANT CANCERS EGFR, BRCA1, ERBB2 EGFR 1/4885ERBB2 3/4885ERBB4 14/4885
US-20120202832-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY ERBB2, MAP3K3, MAP3K19 EGFR 110/4885ERBB2 1/4885ERBB4 55/4885
US-20210346383-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HER-DRIVEN CANCERS EGFR, VHL, MYC EGFR 1/4885ERBB2 7/4885ERBB4 22/4885

“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.