SCHEMBL867889

SCHEMBL867889

CN(C)C/C=C/C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 1.00
ERBB2 P04626 13/20 1.00
KDR P35968 1/20 0.74
FYN P06241 1/20 0.71
SRC P12931 1/20 0.71
BLK P51451 1/20 0.71
BMX P51813 1/20 0.71
JAK3 P52333 1/20 0.71
BTK Q06187 1/20 0.71
ERBB4 Q15303 1/20 0.71

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
SCHEMBL867890 1.00 EGFR (1.00) EGFRERBB2KDRFYNSRC
SCHEMBL30115339 1.00 EGFR (1.00) EGFRERBB2KDRFYNSRC
SCHEMBL30115294 0.92 EGFR (1.00) EGFRERBB2FYNSRCBLK
SCHEMBL6585840 0.92 EGFR (1.00) EGFRERBB2FYNSRCBLK
SCHEMBL16882294 0.90 EGFR (0.82) EGFRERBB2FYNSRCBLK
SCHEMBL14612050 0.90 EGFR (0.81) EGFRERBB2KDR
SCHEMBL1418064 0.89 EGFR (0.81) EGFRERBB2FYNSRCBLK
SCHEMBL1418066 0.89 EGFR (0.81) EGFRERBB2FYNSRCBLK
SCHEMBL30115309 0.89 EGFR (0.81) EGFRERBB2FYNSRCBLK
SCHEMBL5116945 0.89 EGFR (0.80) EGFRERBB2KDRFYNSRC

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 US claimed
EP-2406262-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY Auckland UniServices Limited (NZ) 2012-01-18 EP claimed
WO-2010104406-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2010-09-16 WO claimed
EP-1411993-B1 RADIOLABELED IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE AND THEIR USE IN RADIOIMAGING AND RADIOTHERAPY YISSUM RES DEV CO (IL) 2010-05-05 EP claimed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
US-20160195532-A1 Targeted Covalent Probes and Inhibitors of Proteins Containing Redox-Sensitive Cysteines THE SCRIPPS RESEARCH INSTITUTE 2016-07-07 US disclosed
EP-3031807-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY Auckland UniServices Limited (NZ) 2016-06-15 EP disclosed
EP-2406262-B1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LTD (NZ) 2016-02-17 EP disclosed
EP-2406262-B1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LTD (NZ) 2016-02-17 EP disclosed
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-01-07 US disclosed
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-01-07 US disclosed
EP-1411993-B1 RADIOLABELED IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE AND THEIR USE IN RADIOIMAGING AND RADIOTHERAPY YISSUM RES DEV CO (IL) 2010-05-05 EP disclosed
EP-1411993-A4 RADIOLABELED IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE AND THEIR USE IN RADIOIMAGING AND RADIOTHERAPY YISSUM RES DEV CO (IL) 2007-08-01 EP disclosed
US-7172749-B2 Radiolabeled irreversible inhibitors of epidermal growth factor receptor tyrosine kinase and their use in radioimaging and radiotherapy YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2007-02-06 US disclosed
EP-1673110-A2 RADIOLABELED ANILINOQUINAZOLINES AND THEIR USE IN RADIOIMAGING AND RADIOTHERAPY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-06-28 EP disclosed
WO-2005023315-A2 RADIOLABELED ANILINOQUINAZOLINES AND THEIR USE IN RADIOIMAGING AND RADIOTHERAPY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2005-03-17 WO disclosed
US-20040265228-A1 Radiolabeled irreversible inhibitors of epidermal growth factor receptor tyrosine kinase and their use in radioimaging and radiotherapy HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2004-12-30 US disclosed
EP-1411993-A2 RADIOLABELED IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE AND THEIR USE IN RADIOIMAGING AND RADIOTHERAPY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2004-04-28 EP disclosed
WO-2002073235-A2 RADIOLABELED IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE AND THEIR USE IN RADIOIMAGING AND RADIOTHERAPY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2002-09-19 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 (4 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-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K EGFR 48/4885ERBB2 7/4885KDR 281/4885
US-20040265228-A1 Radiolabeled irreversible inhibitors of epidermal growth factor receptor tyrosine kinase and their use in radioimaging and radiotherapy EGFR, ERBB2, TK1 EGFR 1/4885ERBB2 2/4885KDR 16/4885
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K EGFR 41/4885ERBB2 7/4885KDR 283/4885
US-20160195532-A1 Targeted Covalent Probes and Inhibitors of Proteins Containing Redox-Sensitive Cysteines PTMS, RSU1, QSOX1 EGFR 1430/4885ERBB2 325/4885KDR 1210/4885

“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.