SCHEMBL3304034

SCHEMBL3304034

COc1ccc2c(Nc3ccc(F)c(Cl)c3)ncnc2c1OC1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.62
PDE4B Q07343 1/20 0.57
KDR P35968 5/20 0.54
ERBB2 P04626 3/20 0.54
EPHB4 P54760 3/20 0.54
FLT4 P35916 2/20 0.54
AURKA O14965 1/20 0.54
INSR P06213 1/20 0.54
FBP1 P09467 1/20 0.54
PDGFRB P09619 1/20 0.54
CLK1 P49759 1/20 0.54
TEK Q02763 1/20 0.54
AURKB Q96GD4 1/20 0.54
EPHA2 P29317 1/20 0.51
CIT O14578 1/20 0.51
GAK O14976 1/20 0.51
EPHB6 O15197 1/20 0.51
ABCC4 O15439 1/20 0.51
DAPK3 O43293 1/20 0.51
RIPK2 O43353 1/20 0.51

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
SCHEMBL22282665 0.83 EGFR (0.53) EGFRPDE4BKDRERBB2EPHB4
SCHEMBL1331677 0.83 EGFR (0.79) EGFRKDRERBB2EPHB4FLT4
SCHEMBL3304079 0.81 ERBB2 (0.61) EGFRPDE4BERBB2ERBB4
SCHEMBL15568346 0.80 EGFR (0.73) EGFRKDRERBB2EPHB4FLT4
SCHEMBL13606793 0.79 EGFR (0.72) EGFRKDRERBB2EPHB4FLT4
SCHEMBL1446388 0.78 KDR (0.81) EGFRKDRERBB2EPHB4FLT4
SCHEMBL1446086 0.78 KDR (0.81) EGFRKDRERBB2EPHB4FLT4
SCHEMBL1446083 0.78 KDR (0.81) EGFRKDRERBB2EPHB4FLT4
SCHEMBL12743377 0.78 EGFR (0.66) EGFR
SCHEMBL4038435 0.77 EGFR (1.00) EGFRKDRSRC

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-20100099651-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 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-20100099651-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, GRK5, PRKCH EGFR 63/4885PDE4B 26/4885KDR 604/4885

“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.