SCHEMBL4587145

SCHEMBL4587145

Fc1cccc(COc2ccc(Nc3ncnc4sc(Br)cc34)cc2Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 1.00
ERBB2 P04626 10/20 0.74
GAK O14976 1/20 0.66
ERBB3 P21860 1/20 0.61
ERBB4 Q15303 1/20 0.61

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
Hydrochloric Acid SCHEMBL6241661 0.99 EGFR (0.98) EGFRERBB2GAKERBB3ERBB4
SCHEMBL17075853 0.89 EGFR (0.81) EGFRERBB2
SCHEMBL4587900 0.86 EGFR (1.00) EGFRERBB2GAKERBB3ERBB4
SCHEMBL6241626 0.86 EGFR (0.75) EGFRERBB2GAKERBB3ERBB4
Hydrochloric Acid SCHEMBL4593991 0.85 EGFR (0.74) EGFRERBB2GAKERBB3ERBB4
Hydrochloric Acid SCHEMBL6829136 0.85 EGFR (0.74) EGFRERBB2GAKERBB3ERBB4
SCHEMBL6487865 0.84 EGFR (0.80) EGFRERBB2GAKERBB3ERBB4
SCHEMBL2510931 0.84 EGFR (0.75) EGFRERBB2GAKERBB3ERBB4
Gsk-969786A SCHEMBL30467434 0.84 EGFR (1.00) EGFRERBB2GAK
SCHEMBL6483295 0.84 EGFR (0.80) EGFRERBB2GAKERBB3ERBB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150259331-A1 PROTOZOAN PARASITE GROWTH INHIBITORS THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2015-09-17 US disclosed
US-20150259331-A1 PROTOZOAN PARASITE GROWTH INHIBITORS THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2015-09-17 US disclosed
US-20150259331-A1 PROTOZOAN PARASITE GROWTH INHIBITORS THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2015-09-17 US disclosed
EP-1585480-A4 ERBB4 CO-CRYSTAL SMITHKLINE BEECHAM CORP (US) 2008-12-03 EP disclosed
US-20060134768-A1 Erbb4 co-crystal SHEWCHUK LISA M 2006-06-22 US disclosed
EP-1585480-A2 ERBB4 CO-CRYSTAL SmithKline Beecham Corporation (US) 2005-10-19 EP disclosed
US-20050009845-A1 Thienopyrimidine compounds as protein tyrosine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2005-01-13 US disclosed
WO-2004112714-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-29 WO disclosed
WO-2004066921-A2 ERBB4 CO-CRYSTAL SMITHKLINE BEECHAM CORPORATION (US) 2004-08-12 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 (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-20050009845-A1 Thienopyrimidine compounds as protein tyrosine kinase inhibitors ERBB2, ERBB4, ERBB3 EGFR 20/4885ERBB2 1/4885GAK 50/4885
US-20150259331-A1 PROTOZOAN PARASITE GROWTH INHIBITORS TPP1, MKI67, PIGO EGFR 4389/4885ERBB2 4468/4885GAK 185/4885

“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.