SCHEMBL2131997

SCHEMBL2131997

[2H]C([2H])([2H])N(C/C=C/C(=O)Nc1cc2c(Nc3ccc(NC(=O)c4ccccn4)c(Cl)c3)c(C#N)cnc2cc1OCC)C([2H])([2H])[2H]

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.73
ERBB2 P04626 18/20 0.73
STK4 Q13043 3/20 0.73
STK25 O00506 2/20 0.73
CHEK1 O14757 2/20 0.73
GAK O14976 2/20 0.73
STK17B O94768 2/20 0.73
STK10 O94804 2/20 0.73
MAP4K4 O95819 2/20 0.73
ABL1 P00519 2/20 0.73
LCK P06239 2/20 0.73
FYN P06241 2/20 0.73
FES P07332 2/20 0.73
CSF1R P07333 2/20 0.73
YES1 P07947 2/20 0.73
LYN P07948 2/20 0.73
MET P08581 2/20 0.73
HCK P08631 2/20 0.73
FGR P09769 2/20 0.73
WEE2 P0C1S8 2/20 0.73

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
SCHEMBL2129849 0.92 EGFR (0.71) EGFRERBB2STK4STK25CHEK1
Neratinib SCHEMBL2130178 0.89 EGFR (0.93) EGFRERBB2STK4STK25CHEK1
Neratinib SCHEMBL2130569 0.87 ERBB2 (0.94) EGFRERBB2STK4STK25CHEK1
SCHEMBL2133444 0.86 EGFR (0.65) EGFRERBB2KDRJAK3ERBB4
Neratinib SCHEMBL571763 0.85 ERBB2 (1.00) EGFRERBB2STK4STK25CHEK1
Neratinib SCHEMBL29801657 0.85 ERBB2 (1.00) EGFRERBB2STK4STK25CHEK1
Neratinib SCHEMBL29394766 0.85 ERBB2 (1.00) EGFRERBB2STK4STK25CHEK1
Neratinib SCHEMBL15163655 0.85 ERBB2 (1.00) EGFRERBB2STK4STK25CHEK1
Neratinib SCHEMBL15163654 0.85 ERBB2 (1.00) EGFRERBB2STK4STK25CHEK1
Neratinib SCHEMBL571762 0.85 ERBB2 (1.00) EGFRERBB2STK4STK25CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748453-B2 Substituted heterocyclic compounds as kinases inhibitors and methods of use thereof MEDOLUTION LIMITED (HK) 2014-06-10 US claimed
EP-2445885-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS KINASES INHIBITORS AND METHOD OF USE THEREOF Medolution Limited (CN) 2012-05-02 EP claimed
US-20120101116-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS KINASES INHIBITORS AND METHODS OF USE THEREOF MEDOLUTION LIMITED (US) 2012-04-26 US claimed
WO-2010151710-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS KINASES INHIBITORS AND METHOD OF USE THEREOF MEDOLUTION LIMITED (CN) 2010-12-29 WO claimed
US-8748453-B2 Substituted heterocyclic compounds as kinases inhibitors and methods of use thereof MEDOLUTION LIMITED (HK) 2014-06-10 US disclosed
EP-2445885-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS KINASES INHIBITORS AND METHOD OF USE THEREOF Medolution Limited (CN) 2012-05-02 EP disclosed
US-20120101116-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS KINASES INHIBITORS AND METHODS OF USE THEREOF MEDOLUTION LIMITED (US) 2012-04-26 US disclosed
WO-2010151710-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS KINASES INHIBITORS AND METHOD OF USE THEREOF MEDOLUTION LIMITED (CN) 2010-12-29 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-20120101116-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS KINASES INHIBITORS AND METHODS OF USE THEREOF MAP4K2, MAP3K7, MAP3K1 EGFR 1263/4885ERBB2 464/4885STK4 93/4885

“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.