SCHEMBL7161985

SCHEMBL7161985

C=C(C(N)=O)c1ccc2ncnc(Nc3cccc(Br)c3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.64
ERBB2 P04626 6/20 0.64
KDM4E B2RXH2 1/20 0.62
ERBB4 Q15303 3/20 0.61
FYN P06241 1/20 0.61
SRC P12931 1/20 0.61
BLK P51451 1/20 0.61
BMX P51813 1/20 0.61
JAK3 P52333 1/20 0.61
BTK Q06187 1/20 0.61
ABCG2 Q9UNQ0 2/20 0.58

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
SCHEMBL29717450 0.92 KDM4E (0.73) EGFRERBB2KDM4EERBB4FYN
SCHEMBL7122834 0.89 EGFR (0.70) EGFRERBB2KDM4EERBB4FYN
SCHEMBL6273052 0.89 EGFR (0.70) EGFRERBB2KDM4EERBB4FYN
SCHEMBL3243684 0.88 EGFR (0.60) EGFRERBB2KDM4EFYNSRC
SCHEMBL31060919 0.88 EGFR (0.60) EGFRERBB2KDM4EFYNSRC
SCHEMBL31060470 0.87 EGFR (0.64) EGFRERBB2KDM4E
SCHEMBL7162430 0.87 EGFR (0.59) EGFRERBB2KDM4EERBB4
SCHEMBL2990711 0.86 EGFR (0.72) EGFRERBB2KDM4EERBB4FYN
SCHEMBL8430952 0.81 KDM4E (0.60) EGFRERBB2KDM4EERBB4FYN
SCHEMBL8434635 0.81 KDM4E (0.60) EGFRERBB2KDM4EERBB4FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6562319-B2 4-(phenylamino)quinazolines YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2003-05-13 US disclosed
US-20020128553-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. 2002-09-12 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 (1 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-20020128553-A1 Radiolabeled irreversible inhibitors of epidermal growth factor receptor tyrosine kinase and their use in radioimaging and radiotherapy EGFR, ERBB2, TK1 EGFR 1/4885ERBB2 2/4885KDM4E 1964/4885

“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.