SCHEMBL4611892

SCHEMBL4611892

CC(=O)c1ccc2c(c1)/C(=C(\Nc1ccc(CN(C)C)cc1)c1ccccc1)C(=O)N2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.40
AKT2 P31751 4/20 0.40
PDPK1 O15530 4/20 0.40
AKT1 P31749 1/20 0.40
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
TLK2 Q86UE8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
JAK3 P52333 1/20 0.37
SLC2A1 P11166 1/20 0.37
GSK3B P49841 3/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL4611898 1.00 ROCK2 (0.40) ROCK2AKT2PDPK1AKT1KMT2A
SCHEMBL14587215 1.00 ROCK2 (0.40) ROCK2AKT2PDPK1AKT1KMT2A
SCHEMBL7984825 0.93 ROCK2 (0.41) ROCK2PDPK1TLK2JAK3SLC2A1
SCHEMBL8186879 0.91 ROCK2 (0.48) ROCK2SLC2A1GSK3B
SCHEMBL6984569 0.91 JAK3 (0.42) ROCK2PDPK1KMT2AJAK3SLC2A1
SCHEMBL6984575 0.91 JAK3 (0.42) ROCK2PDPK1KMT2AJAK3SLC2A1
SCHEMBL8186883 0.91 ROCK2 (0.48) ROCK2SLC2A1GSK3B
SCHEMBL4613544 0.91 NR1H4 (0.39) ROCK2AKT2PDPK1AKT1KMT2A
SCHEMBL4613550 0.91 NR1H4 (0.39) ROCK2AKT2PDPK1AKT1KMT2A
SCHEMBL6982535 0.90 ROCK2 (0.43) ROCK2SLC2A1GSK3B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727798-B1 NOVEL ARYL-CONTAINING 5-ACYLINDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2008-10-29 EP disclosed
US-7176231-B2 Aryl-containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-13 US disclosed
US-20050234120-A1 Aryl-containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 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-20050234120-A1 Aryl-containing 5-acylindolinones, the preparation thereof and their use as medicaments GSK3B, GSK3A, CSNK2A3 ROCK2 930/4885AKT2 237/4885PDPK1 110/4885

“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.