SCHEMBL4491634

SCHEMBL4491634

CCCN(CC)CC(=O)N(C)c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 3/20 0.33
GAA P10253 2/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC6A9 P48067 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
RXFP1 Q9HBX9 1/20 0.32
PDGFRB P09619 2/20 0.32
KIT P10721 2/20 0.32
EGFR P00533 1/20 0.32
FGFR1 P11362 1/20 0.32
NEK2 P51955 1/20 0.32
MELK Q14680 1/20 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
SCHEMBL4491638 1.00 KDR (0.35) KDRPRKAA2PRKAA1ALDH1A1KDM4E
SCHEMBL4485381 0.97 ALDH1A1 (0.35) KDRPRKAA2PRKAA1ALDH1A1MAPT
SCHEMBL4485377 0.97 ALDH1A1 (0.35) KDRPRKAA2PRKAA1ALDH1A1MAPT
SCHEMBL4491892 0.95 ALDH1A1 (0.36) KDRPRKAA2PRKAA1ALDH1A1KDM4E
SCHEMBL4491894 0.95 ALDH1A1 (0.36) KDRPRKAA2PRKAA1ALDH1A1KDM4E
SCHEMBL4492760 0.92 SLC6A9 (0.37) KDRALDH1A1MAPTGAAHTT
SCHEMBL4492768 0.92 SLC6A9 (0.37) KDRALDH1A1MAPTGAAHTT
SCHEMBL4486075 0.90 KDR (0.39) KDRPRKAA2PRKAA1ALDH1A1KDM4E
SCHEMBL4486071 0.90 KDR (0.39) KDRPRKAA2PRKAA1ALDH1A1KDM4E
SCHEMBL4495635 0.90 ALDH1A1 (0.35) KDRALDH1A1MAPTSLC6A9NPSR1

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 2 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

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 KDR 1/4885PRKAA2 2282/4885PRKAA1 1738/4885

“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.