SCHEMBL3478098

SCHEMBL3478098

CC1(C)CC(Nc2nccc(-c3ccc(-c4ccncc4)s3)n2)CC(C)(C)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
ROCK2 O75116 3/20 0.40
KCNH2 Q12809 2/20 0.39
IKBKB O14920 2/20 0.37
CDK4 P11802 5/20 0.36
CDK1 P06493 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
AURKA O14965 1/20 0.35
TTK P33981 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 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
SCHEMBL3470921 0.89 IKBKB (0.51) KCNH2IKBKBCCNA2CDK2MAPK8
SCHEMBL4481480 0.89 IKBKB (0.38) KCNH2IKBKBCDK4CDK1CCNB1
SCHEMBL3477790 0.88 ROCK2 (0.45) KDM4EROCK2KCNH2CDK1CCNB1
SCHEMBL3477197 0.87 IKBKB (0.37) LMNAKDM4EGAAROCK2KCNH2
SCHEMBL3477550 0.87 APP (0.42) KCNH2IKBKBMEN1KMT2A
SCHEMBL3471613 0.87 IKBKB (0.49) LMNAKDM4EGAAROCK2KCNH2
SCHEMBL3477715 0.86 IKBKB (0.36) LMNAKDM4EGAAKCNH2IKBKB
SCHEMBL28757583 0.86 KCNH2 (0.37) LMNAKCNH2IKBKBCDK4CDK1
SCHEMBL3478254 0.85 CDK5 (0.40) ROCK2KCNH2IKBKBCDK4CDK2
SCHEMBL3472060 0.85 CDK2 (0.37) ROCK2KCNH2IKBKBCDK4CDK1

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
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
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-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 LMNA 4667/4885KDM4E 839/4885GAA 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.