SCHEMBL3478664

SCHEMBL3478664

CC(N)c1ccc(-c2ccc(-c3ccnc(NC4CC(C)(C)NC(C)(C)C4)n3)s2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 9/20 0.40
CCNB1 P14635 9/20 0.40
CDK4 P11802 7/20 0.40
CCND1 P24385 7/20 0.40
CDK2 P24941 7/20 0.40
CCNA2 P20248 6/20 0.40
CCNA1 P78396 6/20 0.40
CCND3 P30281 3/20 0.40
CDK6 Q00534 3/20 0.40
CCNE1 P24864 2/20 0.40
KCNH2 Q12809 2/20 0.37
CCNB2 O95067 3/20 0.34
CCNB3 Q8WWL7 3/20 0.34
CDC7 O00311 1/20 0.34
PLK4 O00444 1/20 0.34
JAK2 O60674 1/20 0.34
MAP4K4 O95819 1/20 0.34
INSR P06213 1/20 0.34
CSF1R P07333 1/20 0.34
PIM1 P11309 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
SCHEMBL4489828 0.98 CDK1 (0.41) CDK1CCNB1CDK4CCND1CDK2
SCHEMBL3472060 0.86 CDK2 (0.37) CDK1CCNB1CDK4CCND1CDK2
SCHEMBL4484868 0.85 KCNH2 (0.37) CDK1CCNB1CDK4CCND1CDK2
SCHEMBL27657167 0.84 KCNH2 (0.36) CDK1CCNB1CDK4CCND1CDK2
SCHEMBL27657166 0.84 KCNH2 (0.38) CDK1CCNB1CDK4CCND1CDK2
SCHEMBL13638672 0.84 CDK1 (0.40) CDK1CCNB1CDK4CCND1CDK2
SCHEMBL3475960 0.83 CDK2 (0.35) CDK1CCNB1CDK4CCND1CDK2
SCHEMBL4484890 0.82 KCNH2 (0.37) CDK1CCNB1CDK4CCND1CDK2
SCHEMBL3471600 0.81 CDK4 (0.43) CDK1CCNB1CDK4CCND1CDK2
SCHEMBL3478098 0.81 LMNA (0.41) CDK1CCNB1CDK4CCND1CDK2

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 11 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-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

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 CDK1 555/4885CCNB1 1227/4885CDK4 681/4885

“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.