Sugi Predict

Sugi Predict / Compounds / SCHEMBL4481530

SCHEMBL4481530

SCHEMBL4481530

COc1ccc(/C(Nc2ccc(N(C)C(=O)CN3CCN(C)CC3)cc2)=C2/C(=O)Nc3cc(C#N)ccc32)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ PDGFRB P09619 4/20 0.39
▸ FGFR1 P11362 2/20 0.39
▸ PDGFRA P16234 2/20 0.39
▸ FLT1 P17948 2/20 0.39
▸ FGFR2 P21802 2/20 0.39
▸ FGFR4 P22455 2/20 0.39
▸ FGFR3 P22607 2/20 0.39
▸ FLT4 P35916 2/20 0.39
▸ KDR P35968 2/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ RET P07949 1/20 0.39
▸ KIT P10721 1/20 0.39
▸ NTRK3 Q16288 1/20 0.39
▸ PLK1 P53350 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL4481534 1.00 AAK1 (0.43) AAK1ALDH1A1ALOX15PDGFRBFGFR1
SCHEMBL226238 0.89 AAK1 (0.45) AAK1ALDH1A1ALOX15PDGFRBFGFR1
SCHEMBL226239 0.89 AAK1 (0.45) AAK1ALDH1A1ALOX15PDGFRBFGFR1
SCHEMBL4490171 0.89 AAK1 (0.45) AAK1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL4490169 0.89 AAK1 (0.45) AAK1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL3935444 0.87 AAK1 (0.39) AAK1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL3935880 0.87 AAK1 (0.39) AAK1ALDH1A1PDGFRBFGFR1PDGFRA
SCHEMBL3935449 0.87 AAK1 (0.39) AAK1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL3937823 0.87 AAK1 (0.39) AAK1ALDH1A1PDGFRBFGFR1PDGFRA
SCHEMBL3933357 0.87 AAK1 (0.40) AAK1ALDH1A1PDGFRBFGFR1PDGFRA

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 AAK1 1080/4885ALDH1A1 2036/4885ALOX15 2439/4885

“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.