SCHEMBL13638560

SCHEMBL13638560

C=C1CC(Nc2nccc(-c3ccc(OCc4ccccc4)s3)n2)CC(C)(C)N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 7/20 0.39
MAPK9 P45984 6/20 0.39
SLC2A1 P11166 1/20 0.35
AKT3 Q9Y243 2/20 0.34
MAPK10 P53779 1/20 0.34
CCNA2 P20248 3/20 0.33
CDK2 P24941 3/20 0.33
CDK4 P11802 3/20 0.33
CDK1 P06493 2/20 0.33
CCNB1 P14635 2/20 0.33
CCND1 P24385 2/20 0.33
CCNA1 P78396 2/20 0.33
ERN1 O75460 1/20 0.33
SYK P43405 2/20 0.33
EZH2 Q15910 2/20 0.32
MAPK3 P27361 1/20 0.31
MAPK1 P28482 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
TEC P42680 1/20 0.31
TXK P42681 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
SCHEMBL3477117 0.87 SLC2A1 (0.42) MAPK8MAPK9SLC2A1AKT3MAPK10
SCHEMBL13638463 0.86 CDK4 (0.35) MAPK8MAPK9MAPK10CCNA2CDK2
SCHEMBL13638419 0.86 CDK4 (0.36) CCNA2CDK2CDK4CDK1CCNB1
SCHEMBL13638464 0.84 AKT3 (0.35) AKT3CCNA2CDK2CDK4CDK1
SCHEMBL13638420 0.82 KDM4E (0.38) MAPK8MAPK9AKT3MAPK10CCNA2
SCHEMBL16192811 0.81 SLC2A1 (0.38) MAPK8MAPK9SLC2A1AKT3CCNA2
SCHEMBL13638474 0.81 AKT3 (0.50) AKT3TECTXKBTKITK
SCHEMBL13638454 0.80 CDK4 (0.36) MAPK8MAPK9MAPK10CCNA2CDK2
SCHEMBL14612785 0.80 IKBKB (0.37) MAPK8MAPK9AKT3MAPK10CCNA2
SCHEMBL13638678 0.80 IKBKB (0.42) MAPK8CCNA2CDK2CDK4CDK1

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 MAPK8 197/4885MAPK9 148/4885SLC2A1 2946/4885

“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.