SCHEMBL4477031

SCHEMBL4477031

CC(C#N)CCc1ccc(-c2ccnc(NC3CC(C)(C)NC(C)(C)C3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 10/20 0.40
ROCK2 O75116 1/20 0.37
CDK1 P06493 4/20 0.36
CDK4 P11802 4/20 0.36
CCNB1 P14635 4/20 0.36
CCNA2 P20248 4/20 0.36
CCND1 P24385 4/20 0.36
CDK2 P24941 4/20 0.36
CCNA1 P78396 4/20 0.36
CCNE1 P24864 1/20 0.36
CCND3 P30281 1/20 0.36
CDK6 Q00534 1/20 0.36
MAP3K14 Q99558 2/20 0.35
KCNH2 Q12809 1/20 0.35
MAPK8 P45983 2/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34

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
SCHEMBL3477574 0.88 IKBKB (0.41) IKBKBROCK2CDK1CDK4CCNB1
SCHEMBL3472713 0.88 IKBKB (0.41) IKBKBROCK2CDK1CDK4CCNB1
SCHEMBL3472991 0.87 IKBKB (0.40) IKBKBROCK2MAP3K14KCNH2MAPK8
SCHEMBL3478250 0.83 IKBKB (0.45) IKBKBROCK2KCNH2MAPK8KDM4E
SCHEMBL13633601 0.83 IKBKB (0.39) IKBKBROCK2CDK1CDK4CCNB1
SCHEMBL4489766 0.82 IKBKB (0.45) IKBKBROCK2CDK1CDK4CCNB1
SCHEMBL3478406 0.82 IKBKB (0.42) IKBKBROCK2KCNH2MAPK8KDM4E
SCHEMBL3477899 0.82 IKBKB (0.45) IKBKBROCK2CDK1CDK4CCNB1
SCHEMBL3471568 0.82 IKBKB (0.42) IKBKBROCK2KCNH2MAPK8KDM4E
SCHEMBL4492944 0.81 IKBKB (0.42) IKBKBROCK2KCNH2MAPK8KDM4E

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 13 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
EP-1615898-B1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2014-10-29 EP disclosed
CN-102267988-A 2-aminopyrimidine derivatives and their medical use NOVARTIS LTD 2011-12-07 CN 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-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
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 US disclosed
CN-1802357-A 2-aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2006-07-12 CN 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 2680/4885CDK1 555/4885

“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.