SCHEMBL13638464

SCHEMBL13638464

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 1/20 0.35
CDK1 P06493 4/20 0.33
CCNB1 P14635 3/20 0.33
CDK4 P11802 3/20 0.33
CCNA2 P20248 3/20 0.33
CDK2 P24941 3/20 0.33
CCND1 P24385 2/20 0.33
CCNA1 P78396 2/20 0.33
CCNB2 O95067 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
MKNK1 Q9BUB5 1/20 0.31
IKBKB O14920 1/20 0.31
CCNE1 P24864 1/20 0.31
CCND3 P30281 1/20 0.31
CDK6 Q00534 1/20 0.31
KIT P10721 1/20 0.30

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
SCHEMBL13638463 0.90 CDK4 (0.35) CDK1CCNB1CDK4CCNA2CDK2
SCHEMBL13638419 0.89 CDK4 (0.36) CDK1CCNB1CDK4CCNA2CDK2
SCHEMBL13633567 0.87 AKT3 (0.38) AKT3CDK1CCNB1CDK4CCNA2
Hydrochloric Acid SCHEMBL4488220 0.86 AKT3 (0.37) AKT3CDK1CCNB1CDK4CCNA2
SCHEMBL13638577 0.86 AKT3 (0.36) AKT3CDK1CCNB1CDK4CCNA2
SCHEMBL13638560 0.84 MAPK8 (0.39) AKT3CDK1CCNB1CDK4CCNA2
SCHEMBL14612785 0.80 IKBKB (0.37) AKT3CDK1CCNB1CDK4CCNA2
SCHEMBL13638454 0.80 CDK4 (0.36) CDK1CCNB1CDK4CCNA2CDK2
SCHEMBL13638579 0.80 SRC (0.35) AKT3CDK1CCNB1CDK4CCNA2
SCHEMBL13638429 0.79 IKBKB (0.34) AKT3CDK1CCNB1CDK4CCNA2

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 678/4885CDK1 555/4885CCNB1 1227/4885

“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.