Sugi Predict

Sugi Predict / Compounds / SCHEMBL4493292

SCHEMBL4493292

SCHEMBL4493292

CC(C)N(C(=O)C(C)(C)N)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 1/20 0.40
▸ BRD4 O60885 3/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ CASP3 P42574 2/20 0.35
▸ TGM2 P21980 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ PDGFRB P09619 2/20 0.33
▸ CCKAR P32238 1/20 0.33
▸ CCKBR P32239 1/20 0.33
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ BRD2 P25440 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.32
▸ HDAC3 O15379 3/20 0.32
▸ NCOR2 Q9Y618 3/20 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
SCHEMBL4493874 0.90 CASP3 (0.35) BACE1BRD4MAPTSMN1; SMN2RXFP1
SCHEMBL4488531 0.90 BACE1 (0.41) BACE1BRD4TP53MAPTSMN1; SMN2
SCHEMBL4493293 0.84 BACE1 (0.40) BACE1TP53MAPTSMN1; SMN2RXFP1
SCHEMBL4493297 0.84 BACE1 (0.40) BACE1TP53MAPTSMN1; SMN2RXFP1
SCHEMBL4504086 0.83 BACE1 (0.44) BACE1BRD4TP53MAPTSMN1; SMN2
SCHEMBL4492726 0.82 BACE1 (0.41) BACE1TP53MAPTSMN1; SMN2RXFP1
SCHEMBL4479147 0.82 BACE1 (0.38) BACE1BRD4TP53MAPTSMN1; SMN2
SCHEMBL4492090 0.81 BACE1 (0.39) BACE1BRD4TP53MAPTSMN1; SMN2
SCHEMBL4504757 0.81 BACE1 (0.44) BACE1TP53MAPTSMN1; SMN2RXFP1
SCHEMBL4504761 0.81 BACE1 (0.44) BACE1TP53MAPTSMN1; 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 1615/4885BRD4 2704/4885TP53 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.