SCHEMBL4487312

SCHEMBL4487312

CC(C)(N)c1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2cc(F)c(F)c(F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.40
BACE1 P56817 1/20 0.39
TGM2 P21980 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDR P35968 4/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HDAC3 O15379 2/20 0.34
NCOR2 Q9Y618 2/20 0.34
CHEK1 O14757 2/20 0.34
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NPC1 O15118 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL4504086 0.89 BACE1 (0.44) BRD4BACE1TGM2MEN1KMT2A
SCHEMBL228330 0.88 BACE1 (0.41) BRD4BACE1TGM2MEN1KMT2A
SCHEMBL227758 0.87 BACE1 (0.41) BRD4BACE1TGM2MEN1KMT2A
SCHEMBL4497096 0.85 BACE1 (0.41) BRD4BACE1TGM2MEN1KMT2A
SCHEMBL223437 0.85 BACE1 (0.39) BRD4BACE1TGM2MEN1KMT2A
SCHEMBL224886 0.84 BACE1 (0.39) BRD4BACE1TGM2MEN1KMT2A
SCHEMBL227645 0.83 BACE1 (0.39) BRD4BACE1TGM2KDRMAPT
SCHEMBL226951 0.83 BACE1 (0.38) BRD4BACE1TGM2KDRMAPT
SCHEMBL4487313 0.82 BACE1 (0.38) BRD4BACE1TGM2KDRAURKB
SCHEMBL4487317 0.82 BACE1 (0.38) BRD4BACE1TGM2KDRAURKB

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 BRD4 2704/4885BACE1 1615/4885TGM2 4379/4885

“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.