SCHEMBL5110057

SCHEMBL5110057

C=CC(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCOCCOCCOCCOCCOCC

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.76
ERBB2 P04626 4/20 0.68
KDR P35968 7/20 0.66
FYN P06241 1/20 0.60
SRC P12931 1/20 0.60
BLK P51451 1/20 0.60
BMX P51813 1/20 0.60
JAK3 P52333 1/20 0.60
BTK Q06187 1/20 0.60
ERBB4 Q15303 1/20 0.60

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
SCHEMBL5117643 1.00 EGFR (0.76) EGFRERBB2KDRFYNSRC
SCHEMBL5124447 0.99 EGFR (0.77) EGFRERBB2KDRFYNSRC
SCHEMBL4967379 0.92 EGFR (0.73) EGFRERBB2KDRFYNSRC
SCHEMBL5117667 0.92 EGFR (0.73) EGFRERBB2KDRFYNSRC
SCHEMBL5112328 0.92 EGFR (0.73) EGFRERBB2KDRFYNSRC
SCHEMBL5108714 0.90 EGFR (0.65) EGFRERBB2KDRSRCERBB4
SCHEMBL5113512 0.90 EGFR (0.65) EGFRERBB2KDRSRCERBB4
SCHEMBL5122522 0.89 EGFR (0.66) EGFRERBB2KDRSRCERBB4
SCHEMBL5115923 0.88 EGFR (0.61) EGFRERBB2KDRERBB4
SCHEMBL5112366 0.87 EGFR (0.64) EGFRERBB2KDRSRCERBB4

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-8461166-B2 Anilinoquinazolinyl amide derivatives; radiolabels as bioprobes for Positron Emission Tomography and Single Photon Emission Computed Tomography, and as radiopharmaceuticals for radiotherapy; improved solubility, bioavailability, biostability HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2013-06-11 US disclosed
US-20080056990-A1 Polyalkylene glycol derivatives of inhibitors of epidermal growth factor receptor tyrosine kinase T.K. SIGNAL LTD. (IL) 2008-03-06 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-20080056990-A1 Polyalkylene glycol derivatives of inhibitors of epidermal growth factor receptor tyrosine kinase EGFR, TK1, ERBB2 EGFR 1/4885ERBB2 3/4885KDR 8/4885

“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.