SCHEMBL3490468

SCHEMBL3490468

NC1(c2nc3c(-c4ccccc4)cccc3[nH]2)CCN(c2ncnc3[nH]cnc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.44
LRRK2 Q5S007 7/20 0.43
STK3 Q13188 5/20 0.43
CDC7 O00311 2/20 0.43
MARK3 P27448 2/20 0.43
ROS1 P08922 1/20 0.43
KIT P10721 1/20 0.43
FLT3 P36888 1/20 0.43
CDK8 P49336 1/20 0.43
MAP2K1 Q02750 1/20 0.43
MAP3K10 Q02779 1/20 0.43
MELK Q14680 1/20 0.43
MARK4 Q96L34 1/20 0.43
CAMKK2 Q96RR4 1/20 0.43
SIK2 Q9H0K1 1/20 0.43
CAMK2A Q9UQM7 1/20 0.43
STK4 Q13043 3/20 0.42
PLK4 O00444 1/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41

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
SCHEMBL3489925 0.89 KIT (0.41) LRRK2STK3KITSTK4AKT2
SCHEMBL3490577 0.88 STK3 (0.47) NPY5RLRRK2STK3CDC7MARK3
SCHEMBL3490827 0.88 ROCK2 (0.39) NPY5RSTK3STK4ROCK2GSK3A
SCHEMBL3490873 0.87 AKT2 (0.52) KITROCK2RPS6KB1GSK3BJAK3
SCHEMBL3490649 0.84 LMNA (0.51) NPY5RLRRK2STK3CDC7MARK3
SCHEMBL14162313 0.83 KIT (0.41) NPY5RLRRK2STK3KITSTK4
SCHEMBL3489674 0.79 AKT2 (0.50) KITROCK2RPS6KB1GSK3BJAK3
SCHEMBL3489645 0.77 AKT2 (0.50) KITROCK2RPS6KB1GSK3BJAK3
SCHEMBL13403203 0.77 AKT2 (0.50) LRRK2KITJAK2ROCK2RPS6KB1
SCHEMBL13403206 0.77 AKT2 (0.53) KITJAK2ROCK2PRKACAGSK3B

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 NPY5R 964/4885LRRK2 236/4885STK3 166/4885

“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.