SCHEMBL4962802

SCHEMBL4962802

NC(=O)c1c(-c2ccc(NC(=O)c3cc(C(F)(F)F)ccc3F)cc2)csc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 5/20 0.49
IL2 P60568 1/20 0.47
RET P07949 2/20 0.47
LCK P06239 4/20 0.47
PLK4 O00444 2/20 0.47
AURKA O14965 2/20 0.47
MAPK13 O15264 2/20 0.47
PDPK1 O15530 2/20 0.47
JAK2 O60674 2/20 0.47
CHEK2 O96017 2/20 0.47
ABL1 P00519 2/20 0.47
NTRK1 P04629 2/20 0.47
INSR P06213 2/20 0.47
FYN P06241 2/20 0.47
CSF1R P07333 2/20 0.47
LYN P07948 2/20 0.47
MET P08581 2/20 0.47
KIT P10721 2/20 0.47
PIM1 P11309 2/20 0.47
FGFR1 P11362 2/20 0.47

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
SCHEMBL4964462 0.85 KIT (0.64) RETLCKPLK4AURKAMAPK13
SCHEMBL4964795 0.79 RIPK1 (0.58) ANO1IL2RETLCKPLK4
SCHEMBL5160686 0.77 PTGS1 (0.64) RETLCKJAK2BTKTLR8
SCHEMBL30868543 0.77 P2RX1 (0.61) JAK2PIM1TLR8P2RX1P2RX4
SCHEMBL4975339 0.76 KDR (0.40) ANO1RETLCKPLK4AURKA
SCHEMBL5437515 0.73 TLR8 (0.55) RETJAK2PIM1TLR8P2RX1
SCHEMBL17664550 0.72 TLR8 (0.54) RETJAK2PIM1TLR8P2RX1
SCHEMBL1829837 0.72 IL2 (0.52) IL2RETNTRK1TLR8P2RX1
SCHEMBL16373485 0.71 IL2 (0.69) ANO1IL2JAK2NTRK1TLR8
SCHEMBL4962777 0.71 KIT (0.61) RETLCKPLK4AURKAMAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436279-B8 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-10-29 EP claimed
US-7179836-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-02-20 US claimed
EP-1436279-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2005-10-26 EP claimed
US-20040192941-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2004-09-30 US claimed
EP-1436279-A1 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2004-07-14 EP claimed
WO-2003027093-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-03 WO claimed
EP-1436279-B8 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-10-29 EP disclosed
EP-1436279-B1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-08-13 EP disclosed
EP-1436279-B1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-08-13 EP disclosed
US-7179836-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-02-20 US disclosed
US-7179836-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-02-20 US disclosed
US-7179836-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-02-20 US disclosed
EP-1436279-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2005-10-26 EP disclosed
US-20040192941-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2004-09-30 US disclosed
EP-1436279-A1 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2004-07-14 EP disclosed
WO-2003027093-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-03 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-20040192941-A1 Chemical compounds TPMT, TST, CYP11B2 ANO1 4365/4885IL2 4246/4885RET 938/4885

“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.