Sugi Predict

Sugi Predict / Compounds / SCHEMBL4492722

SCHEMBL4492722

SCHEMBL4492722

CN(C(=O)C(N)(CCO)CCO)c1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.40
▸ MAPT P10636 5/20 0.36
▸ TP53 P04637 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ PDGFRB P09619 2/20 0.34
▸ CXCR1 P25024 1/20 0.33
▸ CXCR2 P25025 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ AURKC Q9UQB9 1/20 0.33
▸ TGM2 P21980 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ CASP3 P42574 2/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31

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
SCHEMBL4492728 1.00 BACE1 (0.40) BACE1MAPTTP53SMN1; SMN2RXFP1
SCHEMBL4495637 0.90 RXFP1 (0.35) BACE1MAPTRXFP1KDRFLT3
SCHEMBL4495631 0.90 RXFP1 (0.35) BACE1MAPTRXFP1KDRFLT3
SCHEMBL4488531 0.89 BACE1 (0.41) BACE1MAPTTP53SMN1; SMN2RXFP1
SCHEMBL2569716 0.89 SENP1 (0.40) BACE1MAPTTP53SMN1; SMN2RXFP1
SCHEMBL2569719 0.89 SENP1 (0.40) BACE1MAPTTP53SMN1; SMN2RXFP1
SCHEMBL4479147 0.86 BACE1 (0.38) BACE1MAPTTP53SMN1; SMN2RXFP1
SCHEMBL4499408 0.85 BACE1 (0.42) BACE1MAPTTP53SMN1; SMN2RXFP1
SCHEMBL4499405 0.85 BACE1 (0.42) BACE1MAPTTP53SMN1; SMN2RXFP1
SCHEMBL4484432 0.85 BACE1 (0.42) BACE1MAPTTP53SMN1; SMN2RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 — — US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 — — US disclosed
EP-1527046-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-04 — — EP disclosed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 — — 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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR BACE1 1615/4885MAPT 545/4885TP53 681/4885

“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.