SCHEMBL13633646

SCHEMBL13633646

CC1(C)CC(Nc2nccc(-c3ccc(C(=O)NCCN)s3)n2)CC(C)(C)N1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 19/20 0.66
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
IKBKG Q9Y6K9 1/20 0.41
MET P08581 1/20 0.39
KIT P10721 1/20 0.39
PRKCA P17252 1/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
MAPK3 P27361 1/20 0.39
AKT1 P31749 1/20 0.39
AKT2 P31751 1/20 0.39
CAMK2A Q9UQM7 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
SCHEMBL3477527 0.88 AKT3 (0.68) AKT3
SCHEMBL3471170 0.85 AKT3 (0.55) AKT3
SCHEMBL3470259 0.84 AKT3 (0.42) AKT3
SCHEMBL4491124 0.84 AKT3 (0.42) AKT3
SCHEMBL3476590 0.82 AKT3 (0.41) AKT3
SCHEMBL4500550 0.81 ALDH1A1 (0.41) AKT3
SCHEMBL3475881 0.80 KCNH2 (0.38) AKT3IKBKB
SCHEMBL16192862 0.80 AKT3 (0.47) AKT3METKITPRKCAPRKACA
SCHEMBL16192776 0.80 AKT3 (0.47) AKT3METKITPRKCAPRKACA
SCHEMBL16192777 0.80 AKT3 (0.47) AKT3METKITPRKCAPRKACA

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-7615562-B2 Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents NOVARTIS AG (CH) 2009-11-10 US disclosed
US-7615562-B2 Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents NOVARTIS AG (CH) 2009-11-10 US disclosed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 US disclosed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 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-20070043048-A1 2-Aminopyrimidine derivatives and their medical use TPMT, IKBKB, CHUK AKT3 678/4885IKBKB 2/4885CHUK 3/4885

“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.