SCHEMBL13638461

SCHEMBL13638461

C=C1CC(Nc2nccc(-c3ccc(C4CC4C4(O)CC4)s3)n2)CC(C)(C)N1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 4/20 0.32
TEC P42680 1/20 0.32
TXK P42681 1/20 0.32
BTK Q06187 1/20 0.32
ITK Q08881 1/20 0.32
CDK1 P06493 3/20 0.31
CDK4 P11802 3/20 0.31
CCNB1 P14635 3/20 0.31
CCNA2 P20248 3/20 0.31
CCND1 P24385 3/20 0.31
CDK2 P24941 3/20 0.31
CCNA1 P78396 3/20 0.31
PIK3C3 Q8NEB9 2/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 1/20 0.31
PI4KB Q9UBF8 1/20 0.31

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
SCHEMBL4486018 0.87 KCNH2 (0.35) AKT3TECTXKBTKITK
SCHEMBL13638667 0.85 CDK1 (0.32) CDK1CDK4CCNB1CCNA2CCND1
SCHEMBL13638288 0.85 CDK1 (0.32) CDK1CDK4CCNB1CCNA2CCND1
SCHEMBL13638287 0.80 CDK4 (0.37) TECTXKBTKITKCDK1
SCHEMBL13638454 0.80 CDK4 (0.36) CDK1CDK4CCNB1CCNA2CCND1
SCHEMBL14612785 0.80 IKBKB (0.37) AKT3ITKCDK1CDK4CCNB1
SCHEMBL13638579 0.79 SRC (0.35) AKT3CDK1CDK4CCNB1CCNA2
SCHEMBL13638669 0.79 CDK2 (0.36) AKT3TECTXKBTKITK
SCHEMBL13638284 0.79 CDK4 (0.32) CDK1CDK4CCNB1CCNA2CCND1
SCHEMBL13638295 0.78 AKT3 (0.38) AKT3TECTXKBTKITK

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 2 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-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 678/4885TEC 588/4885TXK 505/4885

“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.