SCHEMBL4487091

SCHEMBL4487091

CC1(C)CC(Nc2nccc(-c3ccc(CCC(O)c4ccccc4)s3)n2)CC(C)(C)N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.38
HTT P42858 1/20 0.37
KCNH2 Q12809 2/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 5/20 0.36
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
MAPK3 P27361 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
ALOX12 P18054 1/20 0.34
RAD52 P43351 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AKT3 Q9Y243 1/20 0.34
IKBKB O14920 3/20 0.32

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
SCHEMBL4478692 0.88 KCNH2 (0.35) KCNH2CCNA2CDK2LMNAAKT3
SCHEMBL4473790 0.86 KCNH2 (0.34) KCNH2CCNA2CDK2LMNAAKT3
SCHEMBL27636222 0.85 IKBKB (0.36) ALOX15HTTKCNH2POLBCCNA2
SCHEMBL3472509 0.83 AKT3 (0.41) ALOX15KCNH2MAPK1CCNA2CDK2
SCHEMBL16192844 0.82 RPS6KB2 (0.38) HTTKCNH2KMT2AAKT3IKBKB
SCHEMBL4495433 0.82 EZH2 (0.38) ALOX15HTTKCNH2POLBMEN1
SCHEMBL4492547 0.82 IKBKB (0.43) ALOX15KCNH2CCNA2CDK2MEN1
SCHEMBL4488346 0.82 CDK4 (0.37) KCNH2MAPK1CCNA2CDK2MAPK3
SCHEMBL3470336 0.82 KCNH2 (0.37) KCNH2CCNA2CDK2LMNAAKT3
SCHEMBL3477879 0.82 KCNH2 (0.39) ALOX15KCNH2CCNA2CDK2MEN1

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-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
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 ALOX15 1462/4885HTT 4833/4885KCNH2 3073/4885

“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.