SCHEMBL3489449

SCHEMBL3489449

NCC1(c2nc3ccccc3[nH]2)CCN(c2ncnc3[nH]cc(Br)c23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 9/20 0.46
LRRK2 Q5S007 6/20 0.40
STK3 Q13188 5/20 0.40
CDC7 O00311 2/20 0.40
MARK3 P27448 2/20 0.40
ROS1 P08922 1/20 0.40
KIT P10721 1/20 0.40
FLT3 P36888 1/20 0.40
CDK8 P49336 1/20 0.40
MAP2K1 Q02750 1/20 0.40
MAP3K10 Q02779 1/20 0.40
MELK Q14680 1/20 0.40
MARK4 Q96L34 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
SIK2 Q9H0K1 1/20 0.40
CAMK2A Q9UQM7 1/20 0.40
STK4 Q13043 3/20 0.39
GSK3B P49841 2/20 0.39
AKT2 P31751 1/20 0.39
LIMK1 P53667 2/20 0.38

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
SCHEMBL3489804 0.89 AKT1 (0.49) AKT1STK3STK4LIMK1ROCK2
SCHEMBL3492018 0.89 AKT1 (0.50) AKT1LRRK2STK3STK4GSK3B
SCHEMBL3491281 0.87 AKT1 (0.42) AKT1LRRK2STK3STK4GSK3B
SCHEMBL3489391 0.85 LMNA (0.37) AKT1KITGSK3BAKT2CHEK1
SCHEMBL3489823 0.82 AKT2 (0.43) KITGSK3BAKT2MAPK1
SCHEMBL3489867 0.81 AKT2 (0.60) AKT1KITGSK3BAKT2RPS6KB1
SCHEMBL3492023 0.73 AKT2 (0.52) AKT1KITGSK3BAKT2ROCK2
SCHEMBL3489782 0.72 AKT2 (0.56) AKT1KITGSK3BAKT2RPS6KB1
SCHEMBL3493273 0.72 LRRK2 (0.49) AKT1LRRK2STK3STK4
SCHEMBL14162313 0.70 KIT (0.41) LRRK2STK3KITSTK4GSK3B

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 18/4885LRRK2 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.