SCHEMBL3489804

SCHEMBL3489804

Cc1c[nH]c2ncnc(N3CCC(CN)(c4nc5ccccc5[nH]4)CC3)c12

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 11/20 0.49
LIMK1 P53667 4/20 0.49
LIMK2 P53671 7/20 0.46
ROCK2 O75116 3/20 0.45
PRKACA P17612 2/20 0.45
PRKACG P22612 2/20 0.45
PRKACB P22694 2/20 0.45
ROCK1 Q13464 1/20 0.44
STK4 Q13043 1/20 0.44
STK3 Q13188 1/20 0.44

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
SCHEMBL3489449 0.89 AKT1 (0.46) AKT1LIMK1ROCK2PRKACAROCK1
SCHEMBL3492018 0.89 AKT1 (0.50) AKT1STK4STK3
SCHEMBL3489823 0.82 AKT2 (0.43)
SCHEMBL3489867 0.81 AKT2 (0.60) AKT1
SCHEMBL3489391 0.81 LMNA (0.37) AKT1LIMK2
SCHEMBL3491281 0.80 AKT1 (0.42) AKT1LIMK1LIMK2ROCK2ROCK1
SCHEMBL3492153 0.73 LRRK2 (0.49) LIMK1LIMK2ROCK2PRKACAPRKACG
SCHEMBL3492023 0.73 AKT2 (0.52) AKT1ROCK2
SCHEMBL3490576 0.72 AKT2 (0.56) AKT1ROCK2
SCHEMBL27782474 0.72 LIMK1 (0.62) AKT1LIMK1LIMK2ROCK2PRKACA

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
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
EP-2125805-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY Astex Therapeutics Limited (GB) 2009-12-02 EP disclosed
WO-2008075109-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO disclosed
WO-2008075109-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO 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-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY PRKAR2B, GRK3, PRKAR2A AKT1 18/4885LIMK1 1891/4885LIMK2 1538/4885

“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.