SCHEMBL4964671

SCHEMBL4964671

NC(=O)c1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)csc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.55
FLT3 P36888 5/20 0.55
CLK4 Q9HAZ1 4/20 0.55
CSF1R P07333 4/20 0.55
FGFR1 P11362 4/20 0.55
FLT1 P17948 4/20 0.55
RPS6KB1 P23443 4/20 0.55
FLT4 P35916 4/20 0.55
PLK4 O00444 3/20 0.55
AURKA O14965 3/20 0.55
ROCK2 O75116 3/20 0.55
LCK P06239 3/20 0.55
LYN P07948 3/20 0.55
CSNK1D P48730 3/20 0.55
BLK P51451 3/20 0.55
RPS6KA3 P51812 3/20 0.55
STK3 Q13188 3/20 0.55
ROCK1 Q13464 3/20 0.55
NTRK2 Q16620 3/20 0.55
MARK2 Q7KZI7 3/20 0.55

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
SCHEMBL19048693 0.88 KDR (0.62) KDRFLT3CLK4CSF1RFGFR1
SCHEMBL2368807 0.84 ALDH1A1 (0.67) PRKCIPRKCZALDH1A1HPGDMEN1
SCHEMBL4962368 0.81 NPC1 (0.53) KDRPRKCZMEN1KMT2AMAPT
SCHEMBL4965360 0.81 KDR (0.52) KDRFLT3CLK4CSF1RFGFR1
SCHEMBL15626839 0.79 KDR (0.53) KDRFLT3CLK4CSF1RFGFR1
SCHEMBL4962826 0.78 PRKCZ (0.61) PRKCIPRKCZALDH1A1HPGDMEN1
SCHEMBL4964462 0.77 KIT (0.64) KDRFLT3CLK4CSF1RFGFR1
SCHEMBL4964795 0.77 RIPK1 (0.58) KDRFLT3CLK4CSF1RFGFR1
SCHEMBL8188234 0.73 KMT2A (0.65) PRKCIPRKCZALDH1A1HPGDMEN1
SCHEMBL1799330 0.73 KMT2A (0.69) PRKCZALDH1A1HPGDMEN1KMT2A

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 17 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
EP-1436279-B1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-08-13 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 KDR 3563/4885FLT3 1141/4885CLK4 4146/4885

“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.