SCHEMBL13638545

SCHEMBL13638545

C=C1CC(Nc2nccc(-c3cn(C)c4ccccc34)n2)CC(C)(C)N1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 4/20 0.48
CDK1 P06493 4/20 0.48
CCNB1 P14635 4/20 0.48
CCNB3 Q8WWL7 4/20 0.48
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
EGFR P00533 10/20 0.46
FLT3 P36888 1/20 0.45
HDAC1 Q13547 2/20 0.43
CDK7 P50613 1/20 0.41
CCNH P51946 1/20 0.41
MNAT1 P51948 1/20 0.41
RET P07949 1/20 0.41
CDK4 P11802 1/20 0.40
CDK2 P24941 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL3478495 0.86 CCNB2 (0.53) CCNB2CDK1CCNB1CCNB3MKNK1
SCHEMBL13638594 0.81 MAPK8 (0.61) CCNB2CDK1CCNB1CCNB3MKNK1
SCHEMBL28857024 0.81 CCNB2 (0.67) CCNB2CDK1CCNB1CCNB3MKNK1
SCHEMBL13638678 0.80 IKBKB (0.42) CDK1CCNB1EGFRHDAC1CDK4
SCHEMBL13638547 0.79 RET (0.63) CCNB2CDK1CCNB1CCNB3MKNK2
SCHEMBL14193549 0.78 CDK1 (0.76) CCNB2CDK1CCNB1CCNB3MKNK1
SCHEMBL13638546 0.77 RET (0.46) CCNB2CDK1CCNB1CCNB3MKNK1
SCHEMBL13638549 0.77 RET (0.46) CCNB2CDK1CCNB1CCNB3MKNK2
SCHEMBL14612854 0.77 IKBKB (0.42) CDK1CCNB1CDK4CDK2
SCHEMBL13638548 0.76 GSK3B (0.48) CCNB2CDK1CCNB1CCNB3MKNK2

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 CCNB2 1081/4885CDK1 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.