SCHEMBL1118896

SCHEMBL1118896

O=[N+]([O-])c1cc(-c2ccc(OC3CCCCO3)cc2)cc2nn(C3CCCCO3)cc12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.34
TNK2 Q07912 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ABL1 P00519 1/20 0.33
ACP1 P24666 1/20 0.32
MAPT P10636 2/20 0.32
F2RL3 Q96RI0 1/20 0.32
FLT3 P36888 1/20 0.32
SYK P43405 1/20 0.32
AURKB Q96GD4 1/20 0.32
POLB P06746 2/20 0.31
ALDH1A1 P00352 1/20 0.31
AR P10275 1/20 0.30
GSTP1 P09211 1/20 0.30
GSTM2 P28161 1/20 0.30
WNK1 Q9H4A3 1/20 0.30
MCL1 Q07820 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
SCHEMBL1118871 0.90 DHFR (0.34) TP53ABL1F2RL3FLT3SYK
SCHEMBL1118648 0.84 TNK2 (0.40) TNK2ABL1ACP1F2RL3FLT3
SCHEMBL1118861 0.80 RXFP1 (0.38) TP53RXFP1ABL1MAPTFLT3
SCHEMBL458489 0.77 ALDH1A1 (0.37) ABL1MAPTFLT3SYKAURKB
SCHEMBL1119821 0.75 ATR (0.41) ABL1MAPTALDH1A1
SCHEMBL113156 0.75 POLB (0.41) ABL1MAPTPOLBALDH1A1
SCHEMBL1118890 0.74 DHFR (0.40) TNK2ACP1F2RL3FLT3MCL1
SCHEMBL20699326 0.69 RXRA (0.41) TP53RXFP1MAPTPOLBWNK1
SCHEMBL30161733 0.69 RXRA (0.41) TP53RXFP1MAPTPOLBWNK1
SCHEMBL16021495 0.68 HTT (0.44) MAPTPOLB

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 TP53 612/4885TNK2 68/4885RXFP1 4250/4885

“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.