Sugi Predict

Sugi Predict / Compounds / SCHEMBL3473587

SCHEMBL3473587

SCHEMBL3473587

CC1(C)CC(Nc2nccc(-c3ccc(CCNS(C)(=O)=O)s3)n2)CC(C)(C)N1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 2/20 0.35
▸ MAPK9 P45984 2/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ IKBKB O14920 11/20 0.35
▸ AKT3 Q9Y243 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ CHUK O15111 5/20 0.34
▸ IKBKG Q9Y6K9 5/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ CDK1 P06493 2/20 0.33
▸ CDK4 P11802 2/20 0.33
▸ CCNB1 P14635 2/20 0.33
▸ CCNA2 P20248 2/20 0.33
▸ CCND1 P24385 2/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ CCNA1 P78396 2/20 0.33
▸ ERN1 O75460 1/20 0.33
▸ DKK1 O94907 1/20 0.33
▸ GSK3B P49841 1/20 0.33

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
SCHEMBL4482284 0.90 MAPK8 (0.36) MAPK8MAPK9MAPK10IKBKBAKT3
SCHEMBL4484835 0.89 MAPK8 (0.35) MAPK8MAPK9MAPK10IKBKBAKT3
SCHEMBL3476319 0.86 IKBKB (0.37) MAPK8MAPK9MAPK10IKBKBAKT3
SCHEMBL3472846 0.85 AKT3 (0.39) MAPK8MAPK9MAPK10IKBKBAKT3
SCHEMBL3477541 0.85 CDK4 (0.36) IKBKBAKT3KCNH2CHUKIKBKG
SCHEMBL3470336 0.84 KCNH2 (0.37) MAPK8MAPK9MAPK10IKBKBAKT3
SCHEMBL3477921 0.84 AKT3 (0.39) IKBKBAKT3CHUKIKBKG
SCHEMBL3471336 0.83 KDR (0.40) IKBKBAKT3KCNH2CHUKIKBKG
SCHEMBL4484550 0.83 IKBKB (0.39) IKBKBAKT3KCNH2CHUKIKBKG
SCHEMBL16192844 0.83 RPS6KB2 (0.38) MAPK8IKBKBAKT3KCNH2CHUK

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 8 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-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 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.