Sugi Predict

Sugi Predict / Compounds / SCHEMBL4500075

SCHEMBL4500075

SCHEMBL4500075

COC(=O)Nc1ccc(/C(Nc2ccc(N(C)C(=O)CN(C)C)cc2)=C2/C(=O)Nc3cc(F)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.38
▸ PDGFRB P09619 2/20 0.35
▸ MAPT P10636 3/20 0.35
▸ KDR P35968 2/20 0.34
▸ CXCR1 P25024 1/20 0.34
▸ CXCR2 P25025 1/20 0.34
▸ TGM2 P21980 1/20 0.34
▸ FLT3 P36888 3/20 0.34
▸ GSK3B P49841 3/20 0.33
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ AURKC Q9UQB9 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL4500080 1.00 BACE1 (0.38) BACE1PDGFRBMAPTKDRCXCR1
SCHEMBL4488538 0.90 BACE1 (0.42) BACE1PDGFRBMAPTKDRCXCR1
SCHEMBL4488536 0.90 BACE1 (0.42) BACE1PDGFRBMAPTKDRCXCR1
SCHEMBL226700 0.90 KMT2A (0.37) BACE1PDGFRBMAPTKDRCXCR1
SCHEMBL226701 0.90 KMT2A (0.37) BACE1PDGFRBMAPTKDRCXCR1
SCHEMBL4502981 0.90 NPC1 (0.38) MAPTKDRGSK3BALDH1A1POLB
SCHEMBL4502980 0.90 NPC1 (0.38) MAPTKDRGSK3BALDH1A1POLB
SCHEMBL224416 0.89 BACE1 (0.37) BACE1PDGFRBMAPTKDRCXCR1
SCHEMBL224415 0.89 BACE1 (0.37) BACE1PDGFRBMAPTKDRCXCR1
SCHEMBL225792 0.88 BACE1 (0.37) BACE1PDGFRBCXCR1CXCR2TGM2

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 1615/4885PDGFRB 105/4885MAPT 545/4885

“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.