SCHEMBL3595314

SCHEMBL3595314

NC[C@H](Cc1ccccc1)NC(=O)c1c[nH]c2c1CCc1cnccc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 8/20 0.45
AKT2 P31751 7/20 0.45
AKT3 Q9Y243 6/20 0.45
ROCK2 O75116 10/20 0.44
ROCK1 Q13464 6/20 0.44
GSK3B P49841 3/20 0.40
RPS6KA5 O75582 2/20 0.40
RPS6KA4 O75676 2/20 0.40
PRKACA P17612 2/20 0.40
MAPK1 P28482 2/20 0.40
PRKX P51817 2/20 0.40
PRKG1 Q13976 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
GSK3A P49840 1/20 0.40
IRAK1 P51617 1/20 0.40
PKN2 Q16513 1/20 0.40
SGK2 Q9HBY8 1/20 0.40
ECE1 P42892 1/20 0.40
LIMK1 P53667 1/20 0.38
EGFR P00533 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
SCHEMBL3606006 0.89 ROCK2 (0.40) AKT1AKT2AKT3ROCK2ROCK1
SCHEMBL3606013 0.89 ROCK2 (0.40) AKT1AKT2AKT3ROCK2ROCK1
SCHEMBL15005524 0.84 ROCK2 (0.38) AKT1AKT2AKT3ROCK2ROCK1
SCHEMBL15005503 0.84 ROCK2 (0.38) AKT1AKT2AKT3ROCK2ROCK1
SCHEMBL3599560 0.83 ROCK2 (0.47) AKT1AKT2AKT3ROCK2ROCK1
SCHEMBL3597451 0.79 ROCK2 (0.40) AKT1AKT2AKT3ROCK2ROCK1
SCHEMBL3601278 0.78 ROCK2 (0.38) AKT1AKT2AKT3ROCK2ROCK1
SCHEMBL3606901 0.77 ROCK2 (0.37) AKT1AKT2AKT3ROCK2ROCK1
SCHEMBL3597400 0.74 KDM4C (0.38) ROCK2
SCHEMBL3604129 0.73 SIRT3 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118102-B1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES SRL (IT) 2013-06-12 EP claimed
US-8207180-B2 Tricyclic indoles and (4,5-dihydro) indoles NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-26 US claimed
EP-2118102-B1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES SRL (IT) 2013-06-12 EP disclosed
US-8207180-B2 Tricyclic indoles and (4,5-dihydro) indoles NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-26 US disclosed
US-20100075998-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-03-25 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-20100075998-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES CDC7, CDK7, CDK17 AKT1 47/4885AKT2 57/4885AKT3 41/4885

“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.