SCHEMBL3489790

SCHEMBL3489790

CC(C)(C)OC(=O)NC1(C(=O)Nc2cc(Br)ccc2N)CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 8/20 0.48
JAK3 P52333 3/20 0.48
ROCK2 O75116 5/20 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
AKT2 P31751 6/20 0.44
CYP2C9 P11712 1/20 0.42
ENPP1 P22413 1/20 0.42
AKT3 Q9Y243 2/20 0.42

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
SCHEMBL3488971 0.94 AKT1 (0.48) AKT1JAK3ROCK2PRKACAPRKACG
SCHEMBL3490842 0.88 AKT1 (0.51) AKT1JAK3ROCK2PRKACAPRKACG
SCHEMBL31374403 0.81 JAK3 (0.58) AKT1JAK3ROCK2PRKACAPRKACG
SCHEMBL390884 0.81 JAK3 (0.58) AKT1JAK3ROCK2PRKACAPRKACG
SCHEMBL3488745 0.81 AKT1 (0.51) AKT1JAK3ROCK2PRKACAPRKACG
SCHEMBL3488975 0.80 AKT1 (0.50) AKT1JAK3ROCK2PRKACAPRKACG
SCHEMBL3489794 0.79 JAK3 (0.47) AKT1JAK3ROCK2PRKACAPRKACG
SCHEMBL389491 0.79 AKT1 (0.71) AKT1ROCK2PRKACAPRKACBLIMK1
SCHEMBL389492 0.79 AKT1 (0.71) AKT1ROCK2PRKACAPRKACBLIMK1
SCHEMBL3489438 0.79 AKT2 (0.44) AKT1JAK3ROCK2PRKACAPRKACG

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 AKT1 18/4885JAK3 225/4885ROCK2 259/4885

“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.