SCHEMBL4490077

SCHEMBL4490077

CCC(=O)N(CCNC)c1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.39
OPRM1 P35372 1/20 0.34
KDR P35968 2/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PDGFRB P09619 2/20 0.33
MAPT P10636 2/20 0.33
AURKA O14965 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT3 P36888 1/20 0.33
AURKB Q96GD4 1/20 0.33
AURKC Q9UQB9 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TGM2 P21980 1/20 0.33
CSF1R P07333 1/20 0.33
CASP3 P42574 4/20 0.32
PDPK1 O15530 1/20 0.32
MCHR1 Q99705 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
SCHEMBL4490084 1.00 BACE1 (0.39) BACE1OPRM1KDRPRKAA2PRKAA1
SCHEMBL4476912 0.92 BACE1 (0.40) BACE1KDRPRKAA2PRKAA1PDGFRB
SCHEMBL4476903 0.92 BACE1 (0.40) BACE1KDRPRKAA2PRKAA1PDGFRB
SCHEMBL4482258 0.91 BACE1 (0.39) BACE1OPRM1KDRPRKAA2PRKAA1
SCHEMBL4482260 0.91 BACE1 (0.39) BACE1OPRM1KDRPRKAA2PRKAA1
SCHEMBL4497172 0.90 BACE1 (0.38) BACE1OPRM1KDRPRKAA2PRKAA1
SCHEMBL4497166 0.90 BACE1 (0.38) BACE1OPRM1KDRPRKAA2PRKAA1
SCHEMBL4497169 0.87 BACE1 (0.37) BACE1OPRM1CETP
SCHEMBL6321023 0.84 IDO1 (0.39) KDRMAPTRXFP1PDPK1MEN1
SCHEMBL6319358 0.84 IDO1 (0.39) KDRMAPTRXFP1PDPK1MEN1

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 BACE1 1615/4885OPRM1 612/4885KDR 1/4885

“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.