SCHEMBL13638669

SCHEMBL13638669

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.36
CDK1 P06493 5/20 0.36
CDK4 P11802 5/20 0.36
CCNB1 P14635 5/20 0.36
CCNA2 P20248 5/20 0.36
CCND1 P24385 5/20 0.36
CCNA1 P78396 5/20 0.36
AKT3 Q9Y243 7/20 0.35
MAPK8 P45983 5/20 0.35
MAPK9 P45984 5/20 0.35
MAPK10 P53779 5/20 0.35
CCNE1 P24864 1/20 0.34
CCND3 P30281 1/20 0.34
CDK6 Q00534 1/20 0.34
TEC P42680 1/20 0.34
TXK P42681 1/20 0.34
BTK Q06187 1/20 0.34
ITK Q08881 1/20 0.34
MAP2K7 O14733 1/20 0.33
IKBKB O14920 1/20 0.33

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
SCHEMBL14612850 0.90 AKT3 (0.37) CDK2CDK1CDK4CCNB1CCNA2
SCHEMBL13638295 0.89 AKT3 (0.38) CDK2CDK1CDK4CCNB1CCNA2
SCHEMBL3475881 0.87 KCNH2 (0.38) CDK2CDK1CDK4CCNB1CCNA2
SCHEMBL14612785 0.85 IKBKB (0.37) CDK2CDK1CDK4CCNB1CCNA2
SCHEMBL13638454 0.85 CDK4 (0.36) CDK2CDK1CDK4CCNB1CCNA2
SCHEMBL13638569 0.85 AKT3 (0.37) CDK2CDK1CDK4CCNB1CCNA2
SCHEMBL13638579 0.84 SRC (0.35) CDK2CDK1CDK4CCNB1CCNA2
SCHEMBL14612849 0.83 IKBKB (0.35) CDK2CDK1CDK4CCNB1CCNA2
SCHEMBL13638286 0.83 ROCK2 (0.35) CDK2CDK1CDK4CCNB1CCNA2
SCHEMBL13638420 0.83 KDM4E (0.38) CDK2CDK1CDK4CCNB1CCNA2

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 CDK2 77/4885CDK1 555/4885CDK4 681/4885

“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.