SCHEMBL13633566

SCHEMBL13633566

COCCCCc1ccc(-c2ccnc(NC3CC(C)(C)NC(C)(C)C3)n2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.45
CHUK O15111 4/20 0.45
IKBKG Q9Y6K9 4/20 0.45
CDK1 P06493 3/20 0.36
CDK4 P11802 3/20 0.36
CCNA2 P20248 3/20 0.36
CDK2 P24941 3/20 0.36
CCNE1 P24864 2/20 0.36
CCND3 P30281 2/20 0.36
CDK6 Q00534 2/20 0.36
MAPK1 P28482 2/20 0.35
KCNH2 Q12809 1/20 0.35
AKT3 Q9Y243 4/20 0.33
MAP3K14 Q99558 3/20 0.33
EIF2AK2 P19525 1/20 0.32
IGF1R P08069 1/20 0.32
FGFR1 P11362 1/20 0.32
KDR P35968 1/20 0.32
RET P07949 1/20 0.32
CCNB1 P14635 1/20 0.32

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
Hydrochloric Acid SCHEMBL3471377 0.99 IKBKB (0.44) IKBKBCHUKIKBKGCDK1CDK4
SCHEMBL3478419 0.97 IKBKB (0.47) IKBKBCHUKIKBKGCDK1CDK4
SCHEMBL3471874 0.88 AKT3 (0.37) IKBKBCHUKIKBKGCDK1CDK4
SCHEMBL4481574 0.88 IKBKB (0.37) IKBKBCHUKIKBKGCDK1CDK4
SCHEMBL3475889 0.88 IKBKB (0.46) IKBKBCHUKIKBKGCDK1CDK4
SCHEMBL13638456 0.88 IKBKB (0.42) IKBKBCHUKIKBKGCDK1CDK4
SCHEMBL3471336 0.88 KDR (0.40) IKBKBCHUKIKBKGCDK1CDK4
SCHEMBL3471075 0.87 AKT3 (0.37) IKBKBCHUKIKBKGCDK1CDK4
SCHEMBL4492547 0.87 IKBKB (0.43) IKBKBCHUKIKBKGCDK1CDK4
SCHEMBL3477954 0.87 IKBKB (0.38) IKBKBCHUKIKBKGCDK1CDK4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615898-B1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2014-10-29 EP claimed
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 IKBKB 2/4885CHUK 3/4885IKBKG 7/4885

“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.