SCHEMBL5583064

SCHEMBL5583064

CN(CCO)c1cc2ncnc(Nc3cccc(Br)c3)c2cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 1.00
HRH3 Q9Y5N1 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
SCHEMBL7975378 0.92 EGFR (1.00) EGFRHRH3
SCHEMBL14310713 0.88 EGFR (0.80) EGFR
SCHEMBL6833322 0.86 EGFR (1.00) EGFR
SCHEMBL14319700 0.81 EGFR (0.74) EGFR
SCHEMBL7965130 0.78 EGFR (1.00) EGFR
SCHEMBL6837695 0.77 EGFR (1.00) EGFR
SCHEMBL6837859 0.75 EGFR (1.00) EGFR
SCHEMBL2986222 0.75 EGFR (1.00) EGFR
SCHEMBL3001417 0.75 EGFR (1.00) EGFR
SCHEMBL6837371 0.75 EGFR (1.00) EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080019907-A1 Optical Imaging Contrast Agents KLAVENESS JO 2008-01-24 US disclosed
US-20070212305-A1 Optical Imaging Contrast Agents For Imaging Lung Cancer AMERSHAM HEALTH AS (NO) 2007-09-13 US disclosed
US-20070212305-A1 Optical Imaging Contrast Agents For Imaging Lung Cancer AMERSHAM HEALTH AS (NO) 2007-09-13 US disclosed
US-20070212305-A1 Optical Imaging Contrast Agents For Imaging Lung Cancer AMERSHAM HEALTH AS (NO) 2007-09-13 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 (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-20080019907-A1 Optical Imaging Contrast Agents PCSK9, APOL1, APOB EGFR 2035/4885HRH3 3397/4885
US-20070212305-A1 Optical Imaging Contrast Agents For Imaging Lung Cancer IQGAP1, AQP3, ROCK1 EGFR 88/4885HRH3 2658/4885

“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.