SCHEMBL3489798

SCHEMBL3489798

CS(=O)(=O)c1ccc(-c2cccc3[nH]c(C4(N)CCN(c5ncnc6[nH]ncc56)CC4)nc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 3/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
AKT2 P31751 3/20 0.39
AKT1 P31749 2/20 0.39
ROCK2 O75116 2/20 0.39
AKT3 Q9Y243 1/20 0.39
HTT P42858 1/20 0.38
PIK3CA P42336 2/20 0.38
PAK1 Q13153 6/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
PRKACA P17612 1/20 0.37
PRKACG P22612 1/20 0.37
PRKACB P22694 1/20 0.37
LIMK1 P53667 1/20 0.37
LIMK2 P53671 1/20 0.37
RPS6KA5 O75582 1/20 0.36
RPS6KA4 O75676 1/20 0.36
RPS6KA3 P51812 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
SCHEMBL3490649 0.88 LMNA (0.51) RPS6KB1LMNAMAPTAKT2AKT1
SCHEMBL3490779 0.88 AKT2 (0.52) RPS6KB1AKT2AKT1ROCK2AKT3
SCHEMBL3489784 0.87 PAK1 (0.46) RPS6KB1LMNAMAPTAKT2ROCK2
SCHEMBL3490827 0.86 ROCK2 (0.39) AKT2AKT1ROCK2AKT3PIK3CA
SCHEMBL3491274 0.83 STK4 (0.43) RPS6KB1LMNAMAPTAKT2AKT1
SCHEMBL3491631 0.80 AKT2 (0.47) RPS6KB1AKT2AKT1ROCK2AKT3
SCHEMBL3490512 0.76 LMNA (0.55) RPS6KB1LMNAMAPTAKT2AKT1
SCHEMBL3490873 0.75 AKT2 (0.52) RPS6KB1AKT2AKT1ROCK2AKT3
SCHEMBL13403206 0.74 AKT2 (0.53) AKT2AKT1ROCK2PRKACAPRKACG
SCHEMBL3490271 0.74 IKBKB (0.47) RPS6KB1AKT2AKT1ROCK2AKT3

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 4 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
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 RPS6KB1 63/4885LMNA 1923/4885MAPT 3625/4885

“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.