Sugi Predict

Sugi Predict / Compounds / SCHEMBL4488531

SCHEMBL4488531

SCHEMBL4488531

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.41
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ PDGFRB P09619 2/20 0.36
▸ TGM2 P21980 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ LRRK2 Q5S007 1/20 0.33
▸ FLT3 P36888 2/20 0.33
▸ AURKB Q96GD4 2/20 0.33
▸ AURKA O14965 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ AURKC Q9UQB9 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ NCOR2 Q9Y618 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL4500074 0.91 BACE1 (0.38) BACE1TP53MAPTSMN1; SMN2RXFP1
SCHEMBL4490904 0.90 CCNB2 (0.35) BACE1PDGFRBTGM2BRD4LRRK2
SCHEMBL4479147 0.90 BACE1 (0.38) BACE1TP53MAPTSMN1; SMN2RXFP1
SCHEMBL225790 0.90 NR1H4 (0.39) BACE1TP53MAPTSMN1; SMN2RXFP1
SCHEMBL3531616 0.90 SENP1 (0.35) BACE1TP53MAPTSMN1; SMN2RXFP1
SCHEMBL4493292 0.90 BACE1 (0.40) BACE1TP53MAPTSMN1; SMN2RXFP1
SCHEMBL4500469 0.89 LRRK2 (0.35) BACE1TP53MAPTSMN1; SMN2RXFP1
SCHEMBL4492728 0.89 BACE1 (0.40) BACE1TP53MAPTSMN1; SMN2RXFP1
SCHEMBL4492722 0.89 BACE1 (0.40) BACE1TP53MAPTSMN1; SMN2RXFP1
SCHEMBL228298 0.89 NR1H4 (0.38) 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 claimed
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 claimed
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

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 1615/4885TP53 681/4885MAPT 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.