SCHEMBL13633601

SCHEMBL13633601

CC(CCc1ccc(-c2ccnc(NC3CC(C)(C)NC(C)(C)C3)n2)cc1)N=[N+]=[N-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 11/20 0.39
ROCK2 O75116 3/20 0.33
MAPK8 P45983 2/20 0.33
KCNH2 Q12809 1/20 0.33
CDK2 P24941 3/20 0.33
CCNA2 P20248 2/20 0.33
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33
CCNT1 O60563 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
CDK7 P50613 1/20 0.33
CDK9 P50750 1/20 0.33
CCNH P51946 1/20 0.33
MNAT1 P51948 1/20 0.33
CHUK O15111 1/20 0.33
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32
CCNB1 P14635 1/20 0.32
CCND1 P24385 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
SCHEMBL13633638 0.91 IKBKB (0.43) IKBKBROCK2MAPK8KCNH2CDK2
SCHEMBL3477574 0.85 IKBKB (0.41) IKBKBROCK2MAPK8KCNH2CDK2
SCHEMBL3472713 0.85 IKBKB (0.41) IKBKBROCK2MAPK8KCNH2CDK2
SCHEMBL4477031 0.83 IKBKB (0.40) IKBKBROCK2MAPK8KCNH2CDK2
SCHEMBL3478250 0.80 IKBKB (0.45) IKBKBROCK2MAPK8KCNH2CHUK
SCHEMBL16200020 0.80 IKBKB (0.43) IKBKBROCK2MAPK8KCNH2CDK2
SCHEMBL4489766 0.79 IKBKB (0.45) IKBKBROCK2MAPK8KCNH2CDK2
SCHEMBL3477899 0.79 IKBKB (0.45) IKBKBROCK2MAPK8KCNH2CDK2
SCHEMBL3478406 0.79 IKBKB (0.42) IKBKBROCK2MAPK8KCNH2CHUK
SCHEMBL3471568 0.79 IKBKB (0.42) IKBKBROCK2MAPK8KCNH2CHUK

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 disclosed
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 2/4885ROCK2 2680/4885MAPK8 197/4885

“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.