SCHEMBL4477014

SCHEMBL4477014

CCS(=O)(=O)NCc1cccc(C(Nc2ccc(CN(C)C)cc2)=C2C(=O)Nc3cc(F)ccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.40
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 1/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
CASP3 P42574 2/20 0.36
BRD4 O60885 1/20 0.35
BACE1 P56817 1/20 0.34
ALKBH5 Q6P6C2 1/20 0.34
DYRK1A Q13627 1/20 0.33
NAMPT P43490 3/20 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
SCHEMBL4477010 1.00 ROCK2 (0.40) ROCK2CYP3A4CYP2C19MAOAMAOB
SCHEMBL4497985 0.93 ROCK2 (0.40) ROCK2CYP3A4CYP2C19MAOAMAOB
SCHEMBL4497979 0.93 ROCK2 (0.40) ROCK2CYP3A4CYP2C19MAOAMAOB
SCHEMBL4499818 0.92 ROCK2 (0.35) ROCK2CYP3A4CYP2C19MAOAMAOB
SCHEMBL4499823 0.92 ROCK2 (0.35) ROCK2CYP3A4CYP2C19MAOAMAOB
SCHEMBL4505768 0.92 MAOA (0.38) ROCK2MAOAMAOBCASP3BRD4
SCHEMBL4505765 0.92 MAOA (0.38) ROCK2MAOAMAOBCASP3BRD4
SCHEMBL4495473 0.90 KMT2A (0.41) ROCK2NAMPT
SCHEMBL4495466 0.90 KMT2A (0.41) ROCK2NAMPT
SCHEMBL227119 0.89 ROCK2 (0.45) ROCK2CYP3A4CYP2C19BACE1DYRK1A

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 392/4885CYP3A4 441/4885CYP2C19 127/4885

“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.