SCHEMBL5054175

SCHEMBL5054175

COc1cc2ncc(C#N)c(Oc3ccc(N)cc3F)c2cc1OC

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.60
EGFR P00533 11/20 0.53
ERBB2 P04626 9/20 0.53
KIT P10721 1/20 0.48
GAK O14976 1/20 0.47
MAP2K1 Q02750 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45

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
SCHEMBL31554419 0.86 KIT (0.54) SRCEGFRERBB2KIT
SCHEMBL5054161 0.82 EGFR (0.56) SRCEGFRERBB2GAKMAP2K1
SCHEMBL31554537 0.78 AXL (0.51) SRCEGFRKITGAK
SCHEMBL22188261 0.77 SRC (0.69) SRCEGFRERBB2GAKMAP2K1
SCHEMBL31554548 0.77 AXL (0.45) EGFRKIT
SCHEMBL166914 0.75 AXL (0.67) SRCKIT
SCHEMBL5824789 0.75 TRPA1 (0.76) EGFRKIT
Hydrochloric Acid SCHEMBL30388215 0.74 AXL (0.66) SRCKIT
Hydrochloric Acid SCHEMBL21776567 0.74 AXL (0.66) SRCKIT
SCHEMBL17035605 0.74 AXL (0.66) SRCKIT

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
WO-2008035209-A2 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2008-03-27 WO disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 US disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 US disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 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-20080004273-A1 Inhibitors of protein tyrosine kinase activity HGF, ERBB2, MET SRC 13/4885EGFR 6/4885ERBB2 2/4885

“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.