SCHEMBL3520111

SCHEMBL3520111

C=CC(=O)Nc1cc2cnc(Nc3ccc(F)c(Cl)c3)nc2cc1OCCCN1CCOCC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.72
ERBB2 P04626 8/20 0.72
JAK3 P52333 6/20 0.72
BTK Q06187 6/20 0.72
ERBB4 Q15303 3/20 0.72
KIT P10721 2/20 0.72
SRC P12931 2/20 0.72
ERBB3 P21860 2/20 0.72
ITK Q08881 2/20 0.72
BMPR1B O00238 1/20 0.72
CIT O14578 1/20 0.72
MAP2K7 O14733 1/20 0.72
GAK O14976 1/20 0.72
EPHB6 O15197 1/20 0.72
MAP3K7 O43318 1/20 0.72
RIPK2 O43353 1/20 0.72
STK17B O94768 1/20 0.72
STK10 O94804 1/20 0.72
ABL1 P00519 1/20 0.72
LCK P06239 1/20 0.72

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
SCHEMBL14040940 0.84 EGFR (0.81) EGFRERBB2JAK3BTKERBB4
Canertinib SCHEMBL29623482 0.84 EGFR (1.00) EGFRERBB2JAK3BTKERBB4
Canertinib SCHEMBL54837 0.84 EGFR (1.00) EGFRERBB2JAK3BTKERBB4
Canertinib SCHEMBL29655741 0.84 EGFR (1.00) EGFRERBB2JAK3BTKERBB4
Canertinib SCHEMBL29368458 0.84 EGFR (1.00) EGFRERBB2JAK3BTKERBB4
Canertinib SCHEMBL30436576 0.83 EGFR (1.00) EGFRERBB2JAK3BTKERBB4
Canertinib SCHEMBL2141065 0.83 EGFR (1.00) EGFRERBB2JAK3BTKERBB4
Canertinib SCHEMBL2052123 0.83 EGFR (1.00) EGFRERBB2JAK3BTKERBB4
SCHEMBL7622647 0.83 EGFR (0.57) EGFRERBB2JAK3BTKERBB4
Canertinib SCHEMBL731396 0.83 EGFR (0.97) EGFRERBB2JAK3BTKERBB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723341-B2 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2010-05-25 US disclosed
US-20090186875-A1 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-23 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-20090186875-A1 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer DPYD, DHODH, FH EGFR 2434/4885ERBB2 2892/4885JAK3 2417/4885

“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.