SCHEMBL3490846

SCHEMBL3490846

NN(C(=O)C1(NC(=O)O)CCN(c2ncnc3[nH]ccc23)CC1)c1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 8/20 0.46
KIT P10721 1/20 0.46
AKT2 P31751 9/20 0.45
ROCK2 O75116 4/20 0.45
AKT3 Q9Y243 2/20 0.45
PRKACA P17612 2/20 0.45
PRKACG P22612 2/20 0.45
PRKACB P22694 2/20 0.45
LIMK1 P53667 2/20 0.45
LIMK2 P53671 2/20 0.45
RPS6KB1 P23443 1/20 0.44
KCNH2 Q12809 1/20 0.43

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
SCHEMBL3488749 0.89 AKT1 (0.53) AKT1KITAKT2ROCK2AKT3
SCHEMBL3489794 0.88 JAK3 (0.47) AKT1AKT2ROCK2AKT3PRKACA
SCHEMBL3488975 0.77 AKT1 (0.50) AKT1KITAKT2ROCK2AKT3
SCHEMBL3490909 0.77 AKT2 (0.48) AKT1KITAKT2ROCK2AKT3
SCHEMBL3490842 0.77 AKT1 (0.51) AKT1KITAKT2ROCK2AKT3
SCHEMBL3488745 0.77 AKT1 (0.51) AKT1KITAKT2ROCK2AKT3
SCHEMBL3489441 0.76 AKT2 (0.47) AKT1AKT2ROCK2AKT3PRKACA
SCHEMBL20544762 0.73 AKT1 (0.60) AKT1AKT2ROCK2AKT3PRKACA
SCHEMBL3651970 0.73 AKT1 (0.55) AKT1AKT2ROCK2AKT3PRKACA
SCHEMBL20545103 0.73 AKT1 (0.55) AKT1AKT2ROCK2AKT3RPS6KB1

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 1 patent. 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

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 18/4885KIT 2170/4885AKT2 35/4885

“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.