SCHEMBL15320639

SCHEMBL15320639

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)cc3)c2cc1NC(=O)/C=C/CN(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 18/20 1.00
EGFR P00533 18/20 0.83
STK4 Q13043 3/20 0.83
SRC P12931 3/20 0.83
KDR P35968 3/20 0.83
STK25 O00506 2/20 0.83
CHEK1 O14757 2/20 0.83
GAK O14976 2/20 0.83
STK17B O94768 2/20 0.83
STK10 O94804 2/20 0.83
MAP4K4 O95819 2/20 0.83
ABL1 P00519 2/20 0.83
LCK P06239 2/20 0.83
FYN P06241 2/20 0.83
FES P07332 2/20 0.83
CSF1R P07333 2/20 0.83
YES1 P07947 2/20 0.83
LYN P07948 2/20 0.83
MET P08581 2/20 0.83
HCK P08631 2/20 0.83

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
SCHEMBL15320643 1.00 ERBB2 (1.00) ERBB2EGFRSTK4SRCKDR
SCHEMBL24037452 0.93 ERBB2 (0.89) ERBB2EGFRSTK4SRCKDR
SCHEMBL9883172 0.91 ERBB2 (0.87) ERBB2EGFRSTK4SRCKDR
Neratinib SCHEMBL29394766 0.91 ERBB2 (1.00) ERBB2EGFRSTK4SRCKDR
SCHEMBL2130964 0.91 ERBB2 (0.86) ERBB2EGFRSTK4SRCKDR
Neratinib SCHEMBL29801657 0.91 ERBB2 (1.00) ERBB2EGFRSTK4SRCKDR
Neratinib SCHEMBL571763 0.91 ERBB2 (1.00) ERBB2EGFRSTK4SRCKDR
Neratinib SCHEMBL15163654 0.91 ERBB2 (1.00) ERBB2EGFRSTK4SRCKDR
Neratinib SCHEMBL15163655 0.91 ERBB2 (1.00) ERBB2EGFRSTK4SRCKDR
Neratinib SCHEMBL571762 0.91 ERBB2 (1.00) ERBB2EGFRSTK4SRCKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2833886-A1 SUBSTITUTED QUINOLINES AS BRUTON'S TYROSINE KINASES INHIBITORS HangzhouDeRenYuCheng Biotechnology Ltd. (CN) 2015-02-11 EP claimed
WO-2013152135-A1 SUBSTITUTED QUINOLINES AS BRUTON'S TYROSINE KINASES INHIBITORS ZHANG DAWEI (US) 2013-10-10 WO claimed
US-9353062-B2 Substituted quinolines as bruton's tyrosine kinases inhibitors HANGZHOUDERENYUCHENG BIOTECHNOLOGY LTD (CN) 2016-05-31 US disclosed
US-20150057312-A1 SUBSTITUTED QUINOLINES AS BRUTON'S TYROSINE KINASES INHIBITORS HANGZHOUDERENYUCHENG BIOTECHNOLOGY LTD (CN) 2015-02-26 US disclosed
EP-2833886-A1 SUBSTITUTED QUINOLINES AS BRUTON'S TYROSINE KINASES INHIBITORS HangzhouDeRenYuCheng Biotechnology Ltd. (CN) 2015-02-11 EP disclosed
WO-2013152135-A1 SUBSTITUTED QUINOLINES AS BRUTON'S TYROSINE KINASES INHIBITORS ZHANG DAWEI (US) 2013-10-10 WO 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-20150057312-A1 SUBSTITUTED QUINOLINES AS BRUTON'S TYROSINE KINASES INHIBITORS BTK, ABL1, LYN ERBB2 206/4885EGFR 1627/4885STK4 86/4885

“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.