SCHEMBL4504446

SCHEMBL4504446

CN(C)Cc1cccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.41
PLK1 P53350 4/20 0.39
PTGES O14684 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KDR P35968 2/20 0.37
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
FGFR1 P11362 1/20 0.37
FLT3 P36888 1/20 0.37
PLK3 Q9H4B4 1/20 0.37
GAA P10253 1/20 0.36
CES1 P23141 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ROCK2 O75116 3/20 0.35
KDM1A O60341 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35

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
SCHEMBL4504449 1.00 ACP1 (0.41) ACP1PLK1PTGESRXFP1KDR
SCHEMBL4497346 0.91 NR1H4 (0.38) ACP1PLK1KDRPDGFRBKIT
SCHEMBL4497348 0.91 NR1H4 (0.38) ACP1PLK1KDRPDGFRBKIT
SCHEMBL4494458 0.91 NR1H4 (0.38) ACP1PLK1PTGESRXFP1KDR
SCHEMBL4504451 0.91 NR1H4 (0.38) ACP1PLK1PTGESRXFP1KDR
SCHEMBL4487048 0.90 LSS (0.44) RXFP1CES1ROCK2
SCHEMBL4487046 0.90 LSS (0.44) RXFP1CES1ROCK2
SCHEMBL227668 0.90 HSPH1 (0.42) ACP1PLK1RXFP1KDRPDGFRB
SCHEMBL227669 0.90 HSPH1 (0.42) ACP1PLK1RXFP1KDRPDGFRB
SCHEMBL228201 0.90 HSPH1 (0.42) ACP1PLK1KDRPDGFRBKIT

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 ACP1 1064/4885PLK1 86/4885PTGES 1601/4885

“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.