SCHEMBL4220702

SCHEMBL4220702

CC1(C)CN(CCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2OC2CCCCC2)CC(=O)O1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.60
ERBB2 P04626 2/20 0.54
CIT O14578 1/20 0.54
GAK O14976 1/20 0.54
EPHB6 O15197 1/20 0.54
ABCC4 O15439 1/20 0.54
DAPK3 O43293 1/20 0.54
RIPK2 O43353 1/20 0.54
NR1I2 O75469 1/20 0.54
RPS6KA4 O75676 1/20 0.54
STK17B O94768 1/20 0.54
STK10 O94804 1/20 0.54
PRKD3 O94806 1/20 0.54
ABCB11 O95342 1/20 0.54
MAP4K4 O95819 1/20 0.54
CHEK2 O96017 1/20 0.54
ABL1 P00519 1/20 0.54
LCK P06239 1/20 0.54
LYN P07948 1/20 0.54
RET P07949 1/20 0.54

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
SCHEMBL4226824 1.00 EGFR (0.60) EGFRERBB2CITGAKEPHB6
SCHEMBL1385131 0.99 EGFR (0.59) EGFRERBB2CITGAKEPHB6
SCHEMBL1383540 0.99 EGFR (0.59) EGFRERBB2CITGAKEPHB6
SCHEMBL1386645 0.98 EGFR (0.59) EGFRERBB2CITGAKEPHB6
SCHEMBL1386399 0.98 EGFR (0.59) EGFRERBB2CITGAKEPHB6
SCHEMBL1386099 0.96 EGFR (0.60) EGFRERBB2CITGAKEPHB6
SCHEMBL1385490 0.96 EGFR (0.60) EGFRERBB2CITGAKEPHB6
SCHEMBL6997463 0.95 EGFR (0.60) EGFRERBB2CITGAKEPHB6
SCHEMBL4220277 0.92 EGFR (0.61) EGFRERBB2CITGAKEPHB6
SCHEMBL4226428 0.92 EGFR (0.61) EGFRERBB2CITGAKEPHB6

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
US-20090203683-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, THEIR USE, AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-13 US disclosed
US-20060063752-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-03-23 US disclosed
EP-1163227-B1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA (DE) 2005-09-28 EP disclosed
US-20020177601-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-28 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 (3 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-20090203683-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, THEIR USE, AND PROCESSES FOR PREPARING THEM REN, APC, PKD1 EGFR 2063/4885ERBB2 3690/4885CIT 2977/4885
US-20060063752-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them REN, APC, PKD1 EGFR 2063/4885ERBB2 3690/4885CIT 2977/4885
US-20020177601-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them PKD1, REN, BDKRB1 EGFR 1367/4885ERBB2 2817/4885CIT 3482/4885

“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.