SCHEMBL3490649

SCHEMBL3490649

NC1(c2nc3c(-c4ccccc4)cccc3[nH]2)CCN(c2ncnc3[nH]ncc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
MAPT P10636 3/20 0.51
HTT P42858 1/20 0.45
RPS6KB1 P23443 3/20 0.44
AKT2 P31751 2/20 0.43
PAK1 Q13153 5/20 0.41
PDGFRB P09619 1/20 0.41
RPS6KA5 O75582 1/20 0.41
RPS6KA4 O75676 1/20 0.41
RPS6KA3 P51812 1/20 0.41
RPS6KA2 Q15349 1/20 0.41
RPS6KA1 Q15418 1/20 0.41
RPS6KB2 Q9UBS0 1/20 0.41
RPS6KA6 Q9UK32 1/20 0.41
NPY5R Q15761 1/20 0.40
AKT1 P31749 1/20 0.40
LRRK2 Q5S007 3/20 0.39
STK3 Q13188 2/20 0.39
CDC7 O00311 1/20 0.39
ROS1 P08922 1/20 0.39

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
SCHEMBL3489784 0.90 PAK1 (0.46) LMNAMAPTHTTRPS6KB1AKT2
SCHEMBL3491274 0.89 STK4 (0.43) LMNAMAPTHTTRPS6KB1AKT2
SCHEMBL3489798 0.88 RPS6KB1 (0.41) LMNAMAPTHTTRPS6KB1AKT2
SCHEMBL3490873 0.86 AKT2 (0.52) RPS6KB1AKT2AKT1KIT
SCHEMBL3490468 0.84 NPY5R (0.44) RPS6KB1AKT2NPY5RLRRK2STK3
SCHEMBL3490512 0.83 LMNA (0.55) LMNAMAPTHTTRPS6KB1AKT2
SCHEMBL3489674 0.79 AKT2 (0.50) RPS6KB1AKT2AKT1KIT
SCHEMBL3489645 0.79 AKT2 (0.50) RPS6KB1AKT2AKT1KIT
SCHEMBL3491282 0.79 AKT2 (0.48) RPS6KB1AKT2AKT1LRRK2
SCHEMBL13403203 0.79 AKT2 (0.50) RPS6KB1AKT2AKT1LRRK2KIT

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 LMNA 1923/4885MAPT 3625/4885HTT 3298/4885

“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.