SCHEMBL4474408

SCHEMBL4474408

CC1(C)CC(Nc2nccc(-c3cc4cnccc4s3)n2)CC(C)(C)N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.50
IKBKB O14920 8/20 0.38
CHUK O15111 6/20 0.37
IKBKG Q9Y6K9 6/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CDK1 P06493 4/20 0.36
CDK4 P11802 4/20 0.36
CCNB1 P14635 4/20 0.36
CCNA2 P20248 4/20 0.36
CCND1 P24385 4/20 0.36
CDK2 P24941 4/20 0.36
CCNA1 P78396 4/20 0.36
PRKCQ Q04759 1/20 0.35
CYP2A6 P11509 1/20 0.34
TGFBR1 P36897 1/20 0.34
MEN1 O00255 1/20 0.34
RECQL P46063 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
SCHEMBL3470408 0.87 KCNH2 (0.66) KCNH2IKBKBCHUKIKBKGLMNA
SCHEMBL3471385 0.85 KCNH2 (0.50) KCNH2IKBKBCHUKIKBKGKDM4E
SCHEMBL3475858 0.83 KCNH2 (0.50) KCNH2IKBKBCHUKIKBKGCDK1
SCHEMBL3477093 0.82 KCNH2 (0.48) KCNH2
SCHEMBL3478098 0.81 LMNA (0.41) KCNH2IKBKBKDM4ELMNAGAA
SCHEMBL3473663 0.80 KCNH2 (0.47) KCNH2IKBKBCHUKIKBKGKDM4E
SCHEMBL3477790 0.80 ROCK2 (0.45) KCNH2KDM4EALDH1A1CDK1CCNB1
SCHEMBL4487841 0.78 KCNH2 (0.40) KCNH2IKBKBKDM4ELMNAGAA
SCHEMBL4491192 0.78 IKBKB (0.41) KCNH2IKBKBKDM4ELMNAGAA
SCHEMBL3470882 0.78 KCNH2 (0.46) KCNH2IKBKBCHUKIKBKGCDK1

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
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-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 KCNH2 3073/4885IKBKB 2/4885CHUK 3/4885

“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.