SCHEMBL1118871

SCHEMBL1118871

O=[N+]([O-])c1cc(-c2cccc(OC3CCCCO3)c2)cc2nn(C3CCCCO3)cc12

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.34
TP53 P04637 1/20 0.31
F2RL3 Q96RI0 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
FLT3 P36888 1/20 0.30
SYK P43405 1/20 0.30
AURKB Q96GD4 1/20 0.30
MCL1 Q07820 1/20 0.30
ABL1 P00519 1/20 0.30

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
SCHEMBL1118896 0.90 TP53 (0.34) TP53F2RL3FLT3SYKAURKB
SCHEMBL1118861 0.85 RXFP1 (0.38) TP53FLT3SYKAURKBMCL1
SCHEMBL1118890 0.85 DHFR (0.40) DHFRF2RL3KDM4CFLT3MCL1
SCHEMBL113156 0.77 POLB (0.41) ABL1
SCHEMBL1119821 0.77 ATR (0.41) ABL1
SCHEMBL458489 0.75 ALDH1A1 (0.37) FLT3SYKAURKBABL1
SCHEMBL1118648 0.74 TNK2 (0.40) DHFRF2RL3KDM4CFLT3SYK
SCHEMBL1025068 0.69 SLC6A2 (0.52) DHFR
SCHEMBL1118858 0.68 ABL1 (0.34) FLT3SYKAURKBMCL1ABL1
SCHEMBL3184997 0.66 DHFR (0.53) DHFRTP53KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280946-B1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LTD (GB) 2016-02-10 EP disclosed
US-8163743-B2 4-carboxamide indazole derivatives useful as inhibitors of PI3-kinases GlaxoGroupLimited (GB) 2012-04-24 US disclosed
US-8163743-B2 4-carboxamide indazole derivatives useful as inhibitors of PI3-kinases GlaxoGroupLimited (GB) 2012-04-24 US disclosed
US-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2011-05-12 US disclosed
US-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2011-05-12 US disclosed
EP-2280946-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES Glaxo Group Limited (GB) 2011-02-09 EP disclosed
WO-2009147187-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2009-12-10 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-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES CDK3, CDK13, MAP3K13 DHFR 3450/4885TP53 612/4885F2RL3 2645/4885

“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.