Sugi Predict

Sugi Predict / Compounds / SCHEMBL4498955

SCHEMBL4498955

SCHEMBL4498955

CN(C)CCc1cccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2cccc(CC(=O)O)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 3/20 0.42
▸ PDGFRB P09619 1/20 0.39
▸ KIT P10721 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ PLK3 Q9H4B4 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.37
▸ NR1H4 Q96RI1 4/20 0.37
▸ HPSE Q9Y251 1/20 0.36
▸ PPARD Q03181 4/20 0.35
▸ PPARG P37231 3/20 0.35
▸ PPARA Q07869 3/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ HSPH1 Q92598 1/20 0.35
▸ SELP P16109 2/20 0.34
▸ SELE P16581 2/20 0.34
▸ SELL P14151 1/20 0.34
▸ SUCNR1 Q9BXA5 1/20 0.34

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
SCHEMBL4498958 1.00 PLK1 (0.42) PLK1PDGFRBKITFGFR1KDR
SCHEMBL4496876 0.95 PLK1 (0.48) PLK1PDGFRBKITFGFR1KDR
SCHEMBL4496879 0.95 PLK1 (0.48) PLK1PDGFRBKITFGFR1KDR
SCHEMBL227279 0.93 PLK1 (0.43) PLK1PDGFRBKITFGFR1KDR
SCHEMBL227280 0.93 PLK1 (0.43) PLK1PDGFRBKITFGFR1KDR
SCHEMBL4488257 0.93 PLK1 (0.42) PLK1PDGFRBKITFGFR1KDR
SCHEMBL4488427 0.93 HRH3 (0.38) PLK1PDGFRBKITFGFR1KDR
SCHEMBL4488258 0.93 PLK1 (0.42) PLK1PDGFRBKITFGFR1KDR
SCHEMBL4488420 0.93 HRH3 (0.38) PLK1PDGFRBKITFGFR1KDR
SCHEMBL4504451 0.92 NR1H4 (0.38) PLK1PDGFRBKITFGFR1KDR

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 PLK1 86/4885PDGFRB 105/4885KIT 53/4885

“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.