SCHEMBL4488150

SCHEMBL4488150

CN(C(=O)C(C)(C)N)c1ccc(N/C(=C2\C(=O)Nc3cc(C#N)ccc32)c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.35
F2 P00734 1/20 0.35
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
KLKB1 P03952 1/20 0.35
PRSS1 P07477 1/20 0.35
PGR P06401 1/20 0.35
SIRT2 Q8IXJ6 6/20 0.33
KMT2A Q03164 1/20 0.33
TXK P42681 1/20 0.33
ITK Q08881 1/20 0.33
RORC P51449 1/20 0.33
IMPDH2 P12268 1/20 0.32
BACE1 P56817 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
IDO1 P14902 1/20 0.32
CHEK1 O14757 1/20 0.32
TLK2 Q86UE8 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
SCHEMBL4490904 0.88 CCNB2 (0.35) BACE1CA12CA2CA9
SCHEMBL4500469 0.87 LRRK2 (0.35) KDRKMT2ABACE1CA12CA2
SCHEMBL4488531 0.87 BACE1 (0.41) KDRBACE1CA12CA2CA9
SCHEMBL4497747 0.86 F2 (0.39) KDRF2PLGPLAUKLKB1
SCHEMBL4488152 0.85 KMT2A (0.37) KDRF2PLGPLAUKLKB1
SCHEMBL4488153 0.85 KMT2A (0.37) KDRF2PLGPLAUKLKB1
SCHEMBL4488324 0.84 KMT2A (0.36) KDRF2PLGPLAUKLKB1
SCHEMBL4488329 0.84 KMT2A (0.36) KDRF2PLGPLAUKLKB1
SCHEMBL5859232 0.84 NAMPT (0.31)
SCHEMBL5856878 0.83 NAMPT (0.31)

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 1/4885F2 1451/4885PLG 1955/4885

“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.