Sugi Predict

Sugi Predict / Compounds / SCHEMBL4495249

SCHEMBL4495249

SCHEMBL4495249

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 12/20 0.43
▸ MAPK8 P45983 1/20 0.38
▸ ROCK2 O75116 3/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ MAP3K14 Q99558 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CHUK O15111 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCNA1 P78396 1/20 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
SCHEMBL4474400 0.90 IKBKB (0.43) IKBKBMAPK8ROCK2KCNH2KDM4E
SCHEMBL13638437 0.87 IKBKB (0.39) IKBKBMAPK8MAP3K14CHUKCDK1
SCHEMBL3471568 0.85 IKBKB (0.42) IKBKBMAPK8ROCK2KCNH2KDM4E
SCHEMBL3478250 0.85 IKBKB (0.45) IKBKBMAPK8ROCK2KCNH2KDM4E
SCHEMBL3471088 0.84 IKBKB (0.41) IKBKBMAPK8ROCK2GAA
SCHEMBL4482129 0.84 SYK (0.46) IKBKBMAPK8ROCK2GAA
SCHEMBL3472713 0.84 IKBKB (0.41) IKBKBMAPK8ROCK2KCNH2KDM4E
SCHEMBL3478406 0.83 IKBKB (0.42) IKBKBMAPK8ROCK2KCNH2KDM4E
SCHEMBL4494193 0.83 ROCK2 (0.43) IKBKBMAPK8ROCK2CHUK
SCHEMBL4492944 0.82 IKBKB (0.42) IKBKBMAPK8ROCK2KCNH2KDM4E

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 7 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
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-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 IKBKB 2/4885MAPK8 197/4885ROCK2 2680/4885

“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.