SCHEMBL4497747

SCHEMBL4497747

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
KLKB1 P03952 1/20 0.39
PRSS1 P07477 1/20 0.39
KDR P35968 1/20 0.38
KMT2A Q03164 2/20 0.38
CHEK1 O14757 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
CASP3 P42574 2/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
IDO1 P14902 1/20 0.34
MEN1 O00255 1/20 0.34
BACE1 P56817 1/20 0.34
PGR P06401 1/20 0.34

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
SCHEMBL4501471 0.90 RXFP1 (0.41) F2PLGPLAUKLKB1PRSS1
SCHEMBL226771 0.87 TMPRSS4 (0.40) KDRKMT2ALMNATP53MAPT
SCHEMBL4490795 0.87 KDR (0.41) F2PLGPLAUKLKB1PRSS1
SCHEMBL4490800 0.87 KDR (0.41) F2PLGPLAUKLKB1PRSS1
SCHEMBL10325757 0.86 MEN1 (0.37) KDRKMT2ACASP3MEN1BACE1
SCHEMBL4487044 0.86 CES1 (0.39) KDRKMT2ACHEK1MAPTCASP3
SCHEMBL4491078 0.86 BRD4 (0.38) KMT2ANR1H4CASP3CA12CA2
SCHEMBL4488150 0.86 KDR (0.35) F2PLGPLAUKLKB1PRSS1
SCHEMBL6323523 0.85 TDP1 (0.40) KDRKMT2ALMNATP53MAPT
SCHEMBL226749 0.85 PLK1 (0.42) KDRKMT2ACHEK1NR1H4TP53

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 F2 1451/4885PLG 1955/4885PLAU 2280/4885

“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.