Sugi Predict

Sugi Predict / Compounds / Erlotinib

Erlotinib

Erlotinib

SCHEMBL13087052

[2H]C([2H])([2H])OCCOc1cc2ncnc(Nc3cccc(C#C)c3)c2cc1OCCOC([2H])([2H])[2H]

nearest known ligand 0.86

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

EGFR

The experimentally established mechanism targets of Erlotinib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR known ✓ P00533 16/20 0.86
▸ ERBB2 P04626 7/20 0.86
▸ GAK O14976 4/20 0.86
▸ ILK Q13418 2/20 0.86
▸ RIPK2 O43353 2/20 0.86
▸ BUB1 O43683 2/20 0.86
▸ STK10 O94804 2/20 0.86
▸ ABL1 P00519 2/20 0.86
▸ LCK P06239 2/20 0.86
▸ LYN P07948 2/20 0.86
▸ RET P07949 2/20 0.86
▸ SRC P12931 2/20 0.86
▸ FGFR2 P21802 2/20 0.86
▸ FECH P22830 2/20 0.86
▸ KDR P35968 2/20 0.86
▸ FLT3 P36888 2/20 0.86
▸ MAP3K1 Q13233 2/20 0.86
▸ PLK4 O00444 1/20 0.86
▸ CIT O14578 1/20 0.86
▸ AURKA O14965 1/20 0.86

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
Erlotinib SCHEMBL29608228 1.00 EGFR (0.86) EGFRERBB2GAKILKRIPK2
Erlotinib SCHEMBL3057695 0.99 EGFR (0.87) EGFRERBB2GAKILKRIPK2
SCHEMBL2129772 0.96 EGFR (0.84) EGFRERBB2GAKILKRIPK2
Erlotinib SCHEMBL13087124 0.93 EGFR (0.78) EGFRERBB2GAKILKRIPK2
Erlotinib SCHEMBL3667407 0.93 EGFR (1.00) EGFRERBB2GAKILKRIPK2
Erlotinib SCHEMBL8413 0.93 EGFR (1.00) EGFRERBB2GAKILKRIPK2
Erlotinib SCHEMBL30362833 0.93 EGFR (1.00) EGFRERBB2GAKILKRIPK2
Erlotinib SCHEMBL29351329 0.93 EGFR (1.00) EGFRERBB2GAKILKRIPK2
Erlotinib SCHEMBL16767632 0.92 EGFR (1.00) EGFRERBB2GAKILKRIPK2
Erlotinib SCHEMBL21176918 0.92 EGFR (1.00) EGFRERBB2GAKILKRIPK2

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
US-8343950-B2 Cell surface tyrosine receptor kinase inhibitors; pyrogen-free; lung cancer; benign prostatic hyperplasia CONCERT PHARMACEUTICALS, INC. (US) 2013-01-01 — — US disclosed
US-20100260674-A1 QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT CONCERT PHARMACEUTICALS, INC. (US) 2010-10-14 — — US disclosed
US-20080166358-A1 QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT CONCERT PHARMACEUTICALS INC. (US) 2008-07-10 — — 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 (2 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-20100260674-A1 QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT ABL1, FLT3, GRK5 EGFR 19/4885ERBB2 4/4885GAK 892/4885
US-20080166358-A1 QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT ABL1, FLT3, GRK5 EGFR 19/4885ERBB2 4/4885GAK 892/4885

“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.

Send feedback