SCHEMBL3472017

SCHEMBL3472017

CC(C)(O)CCc1ccc2c(-c3ccnc(NC4CC(C)(C)NC(C)(C)C4)n3)c[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 5/20 0.51
CCNK O75909 5/20 0.51
CDK12 Q9NYV4 5/20 0.51
CCNT1 O60563 5/20 0.51
CDK9 P50750 5/20 0.51
CCNH P51946 4/20 0.51
MNAT1 P51948 4/20 0.51
MAPK8 P45983 3/20 0.46
MAPK9 P45984 3/20 0.46
MAPK10 P53779 1/20 0.46
CDK2 P24941 6/20 0.43
CCNE1 P24864 4/20 0.43
JUN P05412 1/20 0.42
CCNB2 O95067 4/20 0.40
CDK1 P06493 4/20 0.40
CCNB1 P14635 4/20 0.40
CCNB3 Q8WWL7 4/20 0.40
CDC7 O00311 2/20 0.40
JAK2 O60674 2/20 0.40
MAP4K4 O95819 2/20 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
SCHEMBL13638685 0.89 CDK7 (0.49) CDK7CCNKCDK12CCNT1CDK9
SCHEMBL4490052 0.86 MAPK8 (0.42) CDK7CCNKCDK12CCNT1CDK9
SCHEMBL4484363 0.85 MAPK8 (0.44) CDK7CCNKCDK12CCNT1CDK9
SCHEMBL27636250 0.84 MAPK8 (0.46) CDK7CCNKCDK12CCNT1CDK9
SCHEMBL4503153 0.83 CDK2 (0.47) CDK7CCNKCDK12CCNHMNAT1
SCHEMBL4495552 0.83 MAPK8 (0.53) CDK7CCNKCDK12CCNHMNAT1
SCHEMBL4478450 0.83 MAPK8 (0.42) CDK7CCNKCDK12CCNHMNAT1
SCHEMBL4495249 0.82 IKBKB (0.43) MAPK8CDK2CDK1CCNB1CCNA2
SCHEMBL3477635 0.81 CDK2 (0.51) CDK7CCNKCDK12CCNT1CDK9
SCHEMBL3477789 0.81 CDK2 (0.41) CDK7CCNKCDK12CCNT1CDK9

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 9 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 claimed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 US claimed
EP-1615898-B1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2014-10-29 EP disclosed
WO-2010134939-A2 MAMMALIAN GENES INVOLVED IN INFECTION Zirus, Inc. (US) 2010-11-25 WO 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-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
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 CDK7 207/4885CCNK 1085/4885CDK12 1021/4885

“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.