SCHEMBL3471834

SCHEMBL3471834

CC(C)(O)CCc1ccccc1-c1ccnc(NC2CC(C)(C)NC(C)(C)C2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.38
MAPK9 P45984 3/20 0.38
MAPK10 P53779 2/20 0.38
CDK2 P24941 7/20 0.36
CCNE1 P24864 3/20 0.36
CCNK O75909 2/20 0.36
CDK12 Q9NYV4 2/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
CDK1 P06493 5/20 0.36
CCNB1 P14635 5/20 0.36
CDK4 P11802 4/20 0.36
CCNA2 P20248 4/20 0.36
CCND1 P24385 4/20 0.36
CCNA1 P78396 4/20 0.36
RET P07949 4/20 0.36
JUN P05412 1/20 0.36
ERN1 O75460 1/20 0.35
MAPK14 Q16539 1/20 0.35
KCNH2 Q12809 2/20 0.35

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
SCHEMBL3477635 0.86 CDK2 (0.51) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL16192829 0.84 CDK2 (0.38) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL4495249 0.82 IKBKB (0.43) MAPK8CDK2CDK1CCNB1CDK4
SCHEMBL3471332 0.80 IKBKB (0.48) CDK2CDK1CCNB1CDK4CCNA2
SCHEMBL3477789 0.80 CDK2 (0.41) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL4490052 0.80 MAPK8 (0.42) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL3472017 0.78 CDK7 (0.51) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL3472914 0.77 IKBKB (0.43) CDK2CDK1CCNB1CDK4CCNA2
SCHEMBL3478465 0.75 KCNH2 (0.37) CDK2CDK9CDK1CDK4KCNH2
SCHEMBL16199971 0.75 KCNH2 (0.41) MAPK8MAPK9MAPK10CDK2CDK1

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
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
WO-2010134939-A2 MAMMALIAN GENES INVOLVED IN INFECTION Zirus, Inc. (US) 2010-11-25 WO 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 MAPK8 197/4885MAPK9 148/4885MAPK10 433/4885

“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.