SCHEMBL17075873

SCHEMBL17075873

CN1CCCN(S(=O)(=O)c2ccc(-c3ccc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 19/20 0.66
EGFR P00533 18/20 0.66
ABL1 P00519 1/20 0.60
INSR P06213 1/20 0.60
PDGFRB P09619 1/20 0.60
CDK2 P24941 1/20 0.60
PLK1 P53350 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 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
SCHEMBL17075832 0.97 ERBB2 (0.69) ERBB2EGFRABL1INSRPDGFRB
SCHEMBL17075795 0.93 EGFR (0.65) ERBB2EGFRABL1INSRPDGFRB
SCHEMBL17075841 0.90 EGFR (0.57) ERBB2EGFRABL1INSRPDGFRB
SCHEMBL17075892 0.90 ERBB2 (0.53) ERBB2EGFRABL1INSRPDGFRB
SCHEMBL17075827 0.89 EGFR (0.63) ERBB2EGFRABL1INSRPDGFRB
SCHEMBL29563990 0.89 EGFR (0.69) ERBB2EGFRABL1INSRPDGFRB
SCHEMBL17075815 0.89 EGFR (0.69) ERBB2EGFRABL1INSRPDGFRB
SCHEMBL17075800 0.88 EGFR (0.52) ERBB2EGFRABL1INSRPDGFRB
SCHEMBL17075850 0.88 EGFR (0.64) ERBB2EGFRABL1INSRPDGFRB
SCHEMBL17075898 0.87 ERBB2 (0.51) ERBB2EGFRABL1INSRPDGFRB

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 1 patent. 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

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-20150259331-A1 PROTOZOAN PARASITE GROWTH INHIBITORS TPP1, MKI67, PIGO ERBB2 4468/4885EGFR 4389/4885ABL1 116/4885

“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.