SCHEMBL4482554

SCHEMBL4482554

CCN1CCN(CC(=O)N(C)c2ccc(N/C(=C3\C(=O)Nc4cc(C#N)ccc43)c3ccccc3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.39
KDR P35968 4/20 0.38
FGFR1 P11362 2/20 0.38
PDGFRA P16234 2/20 0.38
FLT1 P17948 2/20 0.38
CYP3A4 P08684 1/20 0.38
FAAH O00519 2/20 0.36
KCNA5 P22460 3/20 0.36
EGLN1 Q9GZT9 1/20 0.35
NAMPT P43490 1/20 0.35
KMT2A Q03164 1/20 0.35
DRD4 P21917 1/20 0.35
PGR P06401 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
PDGFRB P09619 1/20 0.34
KIT P10721 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
SCHEMBL4482559 1.00 AAK1 (0.39) AAK1KDRFGFR1PDGFRAFLT1
SCHEMBL4490171 0.94 AAK1 (0.45) AAK1KDRFGFR1PDGFRAFLT1
SCHEMBL4490169 0.94 AAK1 (0.45) AAK1KDRFGFR1PDGFRAFLT1
SCHEMBL4494076 0.92 HTT (0.38) AAK1NAMPTKMT2AALDH1A1
SCHEMBL4494079 0.92 HTT (0.38) AAK1NAMPTKMT2AALDH1A1
SCHEMBL4489538 0.91 AAK1 (0.43) AAK1KDRFGFR1PDGFRAFLT1
SCHEMBL4489542 0.91 AAK1 (0.43) AAK1KDRFGFR1PDGFRAFLT1
SCHEMBL4490086 0.89 CETP (0.40) AAK1KDRFGFR1PDGFRAFLT1
SCHEMBL4496542 0.88 MELK (0.42) AAK1KDRFGFR1PDGFRAFLT1
SCHEMBL4496540 0.88 MELK (0.42) AAK1KDRFGFR1PDGFRAFLT1

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 8 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
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 claimed
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 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
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 1080/4885KDR 1/4885FGFR1 30/4885

“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.