SCHEMBL5412486

SCHEMBL5412486

Nc1ncnc2oc(-c3ccc(Cl)cc3)cc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
GSK3B P49841 2/20 0.52
KDR P35968 1/20 0.52
BCHE P06276 1/20 0.49
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
THRB P10828 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
MAP4K4 O95819 4/20 0.44
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
DGAT1 O75907 1/20 0.42
EGFR P00533 2/20 0.41
CLK1 P49759 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL5405208 0.84 GSK3B (0.52) HPGDMEN1KMT2AGSK3BKDR
SCHEMBL5403342 0.84 MAP4K4 (0.53) HPGDMEN1KMT2AGSK3BKDR
SCHEMBL1784311 0.84 HPGD (0.60) HPGDMEN1KMT2AGSK3BKDR
SCHEMBL6409156 0.84 HPGD (0.57) HPGDMEN1KMT2AGSK3BKDR
Gw642138X SCHEMBL5404724 0.81 EGFR (0.57) GSK3BKDRMAP4K4EGFR
SCHEMBL5399083 0.75 GSK3B (0.55) HPGDMEN1KMT2AGSK3BKDR
SCHEMBL6417988 0.74 GSK3B (0.57) HPGDMEN1KMT2AGSK3BKDR
SCHEMBL20742179 0.72 GSK3B (0.52) HPGDMEN1KMT2AGSK3BKDR
SCHEMBL759984 0.71 HPGD (0.60) HPGDMEN1KMT2AGSK3BKDR
SCHEMBL5357333 0.70 RAF1 (0.48) GSK3BKDREGFRSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007513155-A 2007-05-24 JP claimed
US-20070088031-A1 Novel chemical compounds SMITHKLINE BEECHAM CORPORATION 2007-04-19 US claimed
EP-1689753-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-08-16 EP claimed
WO-2005061516-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-07 WO claimed
US-20070088031-A1 Novel chemical compounds SMITHKLINE BEECHAM CORPORATION 2007-04-19 US disclosed
US-20070088031-A1 Novel chemical compounds SMITHKLINE BEECHAM CORPORATION 2007-04-19 US disclosed
US-20070088031-A1 Novel chemical compounds SMITHKLINE BEECHAM CORPORATION 2007-04-19 US disclosed
EP-1689753-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-08-16 EP disclosed
WO-2005092896-A1 COMPOUND FOR INHIBITING TYROSINE KINASE ACTIVITY OF DDR2 PROTEIN KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2005-10-06 WO disclosed
WO-2005061516-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-07 WO disclosed
WO-2005061516-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-07 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-20070088031-A1 Novel chemical compounds GSK3B, GSK3A, GSKIP HPGD 2996/4885MEN1 3096/4885KMT2A 1935/4885

“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.