SCHEMBL4482129

SCHEMBL4482129

CC1(C)CC(Nc2nccc(-c3ccc(CCC(=O)O)cc3)n2)CC(C)(C)N1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.46
IKBKB O14920 7/20 0.41
GAA P10253 1/20 0.40
ROCK2 O75116 4/20 0.40
FFAR1 O14842 2/20 0.39
HDAC8 Q9BY41 1/20 0.38
MAPK8 P45983 1/20 0.38

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
SCHEMBL27636181 0.94 SYK (0.41) SYKIKBKBGAAROCK2FFAR1
SCHEMBL3471088 0.92 IKBKB (0.41) SYKIKBKBGAAROCK2HDAC8
SCHEMBL4494193 0.91 ROCK2 (0.43) SYKIKBKBROCK2HDAC8MAPK8
SCHEMBL4481884 0.90 SYK (0.41) SYKIKBKBROCK2HDAC8
SCHEMBL13638531 0.87 SYK (0.43) SYKIKBKBROCK2HDAC8MAPK8
SCHEMBL4484136 0.85 IKBKB (0.42) IKBKBROCK2HDAC8MAPK8
SCHEMBL3471568 0.85 IKBKB (0.42) IKBKBGAAROCK2HDAC8MAPK8
SCHEMBL3478250 0.85 IKBKB (0.45) IKBKBGAAROCK2MAPK8
SCHEMBL3472713 0.84 IKBKB (0.41) IKBKBGAAROCK2MAPK8
SCHEMBL4495249 0.84 IKBKB (0.43) IKBKBGAAROCK2MAPK8

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 12 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
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-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
EP-1615898-A1 2-AMINOPYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE Novartis AG (CH) 2006-01-18 EP disclosed
WO-2004089913-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NOVARTIS AG (CH) 2004-10-21 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 SYK 95/4885IKBKB 2/4885GAA 2474/4885

“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.