SCHEMBL14489889

SCHEMBL14489889

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O[C@H]1CC[C@@H](N(C)C(=O)C(F)(F)F)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.67
ERBB2 P04626 6/20 0.65
KDR P35968 4/20 0.62
EPHB4 P54760 3/20 0.62
AURKA O14965 1/20 0.62
INSR P06213 1/20 0.62
FBP1 P09467 1/20 0.62
PDGFRB P09619 1/20 0.62
FLT4 P35916 1/20 0.62
CLK1 P49759 1/20 0.62
TEK Q02763 1/20 0.62
AURKB Q96GD4 1/20 0.62
EPHA2 P29317 2/20 0.60
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56

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
SCHEMBL14489896 1.00 EGFR (0.67) EGFRERBB2KDREPHB4AURKA
SCHEMBL14489890 0.92 EGFR (0.70) EGFRERBB2KDREPHB4AURKA
SCHEMBL169433 0.92 EGFR (0.70) EGFRERBB2KDREPHB4AURKA
SCHEMBL1446383 0.92 EGFR (0.70) EGFRERBB2KDREPHB4AURKA
SCHEMBL1446382 0.92 EGFR (0.70) EGFRERBB2KDREPHB4AURKA
SCHEMBL208516 0.92 EGFR (0.70) EGFRERBB2KDREPHB4AURKA
SCHEMBL14489893 0.92 EGFR (0.70) EGFRERBB2KDREPHB4AURKA
SCHEMBL29623600 0.92 EGFR (0.70) EGFRERBB2KDREPHB4AURKA
SCHEMBL12536517 0.90 EGFR (0.68) EGFRERBB2KDREPHB4AURKA
SCHEMBL1446542 0.90 EGFR (0.65) EGFRERBB2KDREPHB4AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007068552-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 WO disclosed
US-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same HIMMELSBACH FRANK 2007-06-14 US disclosed
US-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same HIMMELSBACH FRANK 2007-06-14 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-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same BPHL, CYP11B2, CYP11B1 EGFR 349/4885ERBB2 83/4885KDR 1471/4885

“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.