SCHEMBL13498409

SCHEMBL13498409

C=CC(=O)Nc1cccc(Nc2nc(Nc3cccc(S)c3)ncc2F)c1

nearest known ligand 0.84

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.84
ITK Q08881 12/20 0.84
BTK Q06187 2/20 0.79
JAK2 O60674 1/20 0.67
LYN P07948 1/20 0.67
TEC P42680 1/20 0.67
TXK P42681 1/20 0.67
BMX P51813 1/20 0.67
JAK3 P52333 1/20 0.67
CD69 Q07108 1/20 0.67

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
SCHEMBL13165509 0.91 EGFR (1.00) EGFRITKBTKJAK2LYN
SCHEMBL29722526 0.91 EGFR (1.00) EGFRITKBTKJAK2LYN
SCHEMBL13165707 0.89 EGFR (1.00) EGFRITKBTKJAK2LYN
SCHEMBL29722291 0.89 EGFR (1.00) EGFRITKBTKJAK2LYN
SCHEMBL29722612 0.88 BTK (1.00) EGFRITKBTKJAK2LYN
SCHEMBL21338060 0.88 EGFR (0.86) EGFRITKBTKJAK2LYN
SCHEMBL12519456 0.88 BTK (1.00) EGFRITKBTKJAK2LYN
SCHEMBL15815010 0.88 EGFR (0.86) EGFRITKBTKJAK2LYN
SCHEMBL2350864 0.88 EGFR (0.82) EGFRITKBTKJAK2LYN
SCHEMBL27831797 0.87 EGFR (0.84) EGFRITKBTKJAK2LYN

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-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 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-20100029610-A1 Heteroaryl Compounds and Uses Thereof ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885ITK 2697/4885BTK 594/4885

“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.