SCHEMBL3597451

SCHEMBL3597451

NC[C@H](Cc1ccccc1)NC(=O)c1cn(CCO)c2c1CCc1cnccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.40
ROCK1 Q13464 5/20 0.39
RPS6KA5 O75582 2/20 0.39
RPS6KA4 O75676 2/20 0.39
PRKACA P17612 2/20 0.39
MAPK1 P28482 2/20 0.39
GSK3B P49841 2/20 0.39
PRKX P51817 2/20 0.39
PRKG1 Q13976 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
GSK3A P49840 1/20 0.39
IRAK1 P51617 1/20 0.39
PKN2 Q16513 1/20 0.39
SGK2 Q9HBY8 1/20 0.39
AKT1 P31749 3/20 0.37
AKT2 P31751 3/20 0.37
AKT3 Q9Y243 3/20 0.37
LIMK1 P53667 1/20 0.37
ECE1 P42892 1/20 0.37
PIM1 P11309 1/20 0.36

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
SCHEMBL3601278 0.92 ROCK2 (0.38) ROCK2ROCK1RPS6KA5RPS6KA4PRKACA
SCHEMBL3606901 0.88 ROCK2 (0.37) ROCK2ROCK1RPS6KA5RPS6KA4PRKACA
SCHEMBL3606781 0.79 ROCK2 (0.36) ROCK2ROCK1RPS6KA5RPS6KA4PRKACA
SCHEMBL3606776 0.79 ROCK2 (0.36) ROCK2ROCK1RPS6KA5RPS6KA4PRKACA
SCHEMBL3595314 0.79 AKT1 (0.45) ROCK2ROCK1RPS6KA5RPS6KA4PRKACA
SCHEMBL3590777 0.78 PIM1 (0.43) ROCK2PIM1TTKPIM2CCNA2
SCHEMBL3595337 0.76 ROCK2 (0.39) ROCK2AKT1
SCHEMBL15005649 0.76 ROCK2 (0.35) ROCK2ROCK1RPS6KA5RPS6KA4PRKACA
SCHEMBL3601843 0.75 ROCK2 (0.35) ROCK2ROCK1CCNA2CDK2CCNA1
SCHEMBL3601841 0.75 ROCK2 (0.35) ROCK2ROCK1CCNA2CDK2CCNA1

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 6 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
US-20100075998-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-03-25 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 ROCK2 1055/4885ROCK1 854/4885RPS6KA5 185/4885

“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.