SCHEMBL4501471

SCHEMBL4501471

CC(C)(N)c1cccc(N/C(=C2\C(=O)Nc3cc(C#N)ccc32)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.41
NR1H4 Q96RI1 1/20 0.38
CHEK1 O14757 1/20 0.37
VNN1 O95497 1/20 0.37
BRAF P15056 1/20 0.36
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
KLKB1 P03952 1/20 0.36
PRSS1 P07477 1/20 0.36
IDH1 O75874 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
POLB P06746 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
ANO1 Q5XXA6 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 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
SCHEMBL4497747 0.90 F2 (0.39) NR1H4CHEK1VNN1BRAFF2
SCHEMBL3141980 0.85 KCNK9 (0.40) RXFP1NR1H4POLBCTDSP1ALDH1A1
SCHEMBL4504444 0.85 P2RX1 (0.40) RXFP1NR1H4BRAFPOLBCTDSP1
SCHEMBL5785822 0.85 CHEK1 (0.45) RXFP1CHEK1POLBCTDSP1KDR
SCHEMBL4505422 0.85 KDR (0.42) RXFP1POLBCTDSP1MAPTKMT2A
SCHEMBL5787515 0.84 MEN1 (0.41) RXFP1NR1H4CHEK1POLBCTDSP1
SCHEMBL7464386 0.84 MEN1 (0.41) RXFP1NR1H4CHEK1POLBCTDSP1
SCHEMBL3148065 0.83 POLB (0.41) RXFP1POLBCTDSP1MAPTKMT2A
SCHEMBL4501476 0.81 ROCK2 (0.42) CHEK1BRAFF2PLGPLAU
SCHEMBL4501472 0.81 ROCK2 (0.42) CHEK1BRAFF2PLGPLAU

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 RXFP1 425/4885NR1H4 544/4885CHEK1 430/4885

“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.