SCHEMBL4613544

SCHEMBL4613544

CC(=O)c1ccc2c(c1)/C(=C(/Nc1ccc(CN(C)C)cc1)c1ccc(CCC(=O)O)cc1)C(=O)N2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.39
AKT2 P31751 7/20 0.37
PDPK1 O15530 4/20 0.36
AKT1 P31749 1/20 0.36
AURKA O14965 1/20 0.35
PDGFRB P09619 2/20 0.35
FGFR1 P11362 2/20 0.35
KDR P35968 2/20 0.35
LIMK2 P53671 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
DYRK1A Q13627 1/20 0.35
KMT2A Q03164 1/20 0.35
LSS P48449 1/20 0.34
ROCK2 O75116 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 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
SCHEMBL4613550 1.00 NR1H4 (0.39) NR1H4AKT2PDPK1AKT1AURKA
SCHEMBL4611585 0.91 AKT2 (0.36) AKT2PDPK1AKT1CLK2CLK3
SCHEMBL4611580 0.91 AKT2 (0.36) AKT2PDPK1AKT1CLK2CLK3
SCHEMBL4611892 0.91 ROCK2 (0.40) AKT2PDPK1AKT1KMT2AROCK2
SCHEMBL14587215 0.91 ROCK2 (0.40) AKT2PDPK1AKT1KMT2AROCK2
SCHEMBL4611898 0.91 ROCK2 (0.40) AKT2PDPK1AKT1KMT2AROCK2
SCHEMBL225867 0.85 NR1H4 (0.39) NR1H4PDGFRBFGFR1KDRLIMK2
SCHEMBL225868 0.85 NR1H4 (0.39) NR1H4PDGFRBFGFR1KDRLIMK2
SCHEMBL228456 0.85 LSS (0.42) NR1H4KMT2ALSS
SCHEMBL228447 0.85 BACE1 (0.41) NR1H4AURKALIMK2

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 4 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-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 NR1H4 220/4885AKT2 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.