SCHEMBL4497749

SCHEMBL4497749

CN(C)Cc1ccc(N/C(=C2\C(=O)Nc3cc(C#N)ccc32)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.48
RORC P51449 1/20 0.39
POLB P06746 1/20 0.37
KDR P35968 1/20 0.37
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
TSHR P16473 1/20 0.35
SIRT2 Q8IXJ6 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
CHEK1 O14757 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
KMT2A Q03164 2/20 0.34
AKT1 P31749 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
SCHEMBL4497753 1.00 ROCK2 (0.48) ROCK2RORCPOLBKDRF2
SCHEMBL4501476 0.91 ROCK2 (0.42) ROCK2POLBF2PLGPLAU
SCHEMBL4501472 0.91 ROCK2 (0.42) ROCK2POLBF2PLGPLAU
SCHEMBL226773 0.87 POLB (0.46) ROCK2POLBKLKB1TSHRSIRT2
SCHEMBL226772 0.87 POLB (0.46) ROCK2POLBKLKB1TSHRSIRT2
SCHEMBL10293630 0.87 MAP2K1 (0.40) ROCK2POLBKMT2A
SCHEMBL10325117 0.87 MAP2K1 (0.40) ROCK2POLBKMT2A
SCHEMBL10370855 0.87 ROCK2 (0.39) ROCK2
SCHEMBL4491081 0.86 ROCK2 (0.37) ROCK2SIGMAR1TMEM97KMT2A
SCHEMBL4491083 0.86 ROCK2 (0.37) ROCK2SIGMAR1TMEM97KMT2A

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 ROCK2 392/4885RORC 309/4885POLB 4146/4885

“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.