SCHEMBL13638460

SCHEMBL13638460

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 11/20 0.35
TEC P42680 1/20 0.33
TXK P42681 1/20 0.33
BTK Q06187 1/20 0.33
ITK Q08881 1/20 0.33
ROCK2 O75116 3/20 0.33
MAPK9 P45984 3/20 0.32
MAPK8 P45983 2/20 0.32
MAPK10 P53779 1/20 0.32
CDK2 P24941 2/20 0.32
JUN P05412 1/20 0.32
RET P07949 1/20 0.31
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CCND1 P24385 1/20 0.31
CCNA1 P78396 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
SCHEMBL3477634 0.88 AKT3 (0.38) AKT3ROCK2MAPK9MAPK8CDK2
SCHEMBL13638569 0.87 AKT3 (0.37) AKT3TECTXKBTKITK
SCHEMBL13638295 0.84 AKT3 (0.38) AKT3TECTXKBTKITK
SCHEMBL14612850 0.83 AKT3 (0.37) AKT3TECTXKBTKITK
SCHEMBL13638669 0.82 CDK2 (0.36) AKT3TECTXKBTKITK
SCHEMBL13638474 0.79 AKT3 (0.50) AKT3TECTXKBTKITK
SCHEMBL13638458 0.79 IKBKB (0.36) AKT3MAPK9MAPK10CDK2CDK1
SCHEMBL13638579 0.78 SRC (0.35) AKT3MAPK9MAPK8MAPK10CDK2
SCHEMBL13638662 0.78 IKBKB (0.33) AKT3TECTXKBTKITK
SCHEMBL13638421 0.78 DGAT1 (0.44) MAPK9MAPK8MAPK10CDK2JUN

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.