SCHEMBL7702775

SCHEMBL7702775

COCCOc1cc2ncnc(Nc3cccc(C#C[Si](C)(C)C)c3)c2cc1OCCOC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.76
ERBB2 P04626 3/20 0.76
KDR P35968 3/20 0.76
GAK O14976 3/20 0.76
FLT1 P17948 2/20 0.76
ABCG2 Q9UNQ0 2/20 0.76
PLK4 O00444 1/20 0.76
CIT O14578 1/20 0.76
AURKA O14965 1/20 0.76
EPHB6 O15197 1/20 0.76
SLC22A1 O15245 1/20 0.76
DAPK3 O43293 1/20 0.76
RIPK2 O43353 1/20 0.76
BUB1 O43683 1/20 0.76
KDM1A O60341 1/20 0.76
JAK2 O60674 1/20 0.76
RPS6KA4 O75676 1/20 0.76
STK17B O94768 1/20 0.76
STK10 O94804 1/20 0.76
SLCO2B1 O94956 1/20 0.76

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
Hydrochloric Acid SCHEMBL7708472 0.99 EGFR (0.77) EGFRERBB2KDRGAKFLT1
SCHEMBL22367380 0.92 EGFR (0.66) EGFRERBB2KDRGAKFLT1
SCHEMBL12371231 0.91 EGFR (0.81) EGFRERBB2KDRGAKFLT1
SCHEMBL19368134 0.89 EGFR (0.78) EGFRERBB2KDRGAKFLT1
SCHEMBL14481857 0.89 EGFR (0.78) EGFRERBB2KDRGAKFLT1
SCHEMBL13529195 0.88 EGFR (0.76) EGFRERBB2KDRGAKFLT1
SCHEMBL466164 0.87 EGFR (0.81) EGFRERBB2KDRGAKFLT1
Erlotinib SCHEMBL3667407 0.87 EGFR (1.00) EGFRERBB2KDRGAKFLT1
Erlotinib SCHEMBL30362833 0.87 EGFR (1.00) EGFRERBB2KDRGAKFLT1
Erlotinib SCHEMBL8413 0.87 EGFR (1.00) EGFRERBB2KDRGAKFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3015460-B1 PROCESS FOR THE PREPARATION OF ERLOTINIB CERBIOS-PHARMA S A (CH) 2017-05-17 EP disclosed
US-9428468-B2 Process for the preparation of erlotinib CERBIOS-PHARMA SA (CH) 2016-08-30 US disclosed
US-9428468-B2 Process for the preparation of erlotinib CERBIOS-PHARMA SA (CH) 2016-08-30 US disclosed
EP-3015460-A1 PROCESS FOR THE PREPARATION OF ERLOTINIB Cerbios-Pharma S.A. (CH) 2016-05-04 EP disclosed
US-20160115137-A1 PROCESS FOR THE PREPARATION OF ERLOTINIB CERBIOS-PHARMA SA (CH) 2016-04-28 US disclosed
US-20160115137-A1 PROCESS FOR THE PREPARATION OF ERLOTINIB CERBIOS-PHARMA SA (CH) 2016-04-28 US disclosed
US-6476040-B1 Processes and intermediates for preparing anti-cancer compounds PFIZER INC. 2002-11-05 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-20160115137-A1 PROCESS FOR THE PREPARATION OF ERLOTINIB EGFR, KRAS, MET EGFR 1/4885ERBB2 5/4885KDR 27/4885

“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.