SCHEMBL3471385

SCHEMBL3471385

Cc1ccc2sc(-c3ccnc(NC4CC(C)(C)NC(C)(C)C4)n3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.50
KDM4E B2RXH2 1/20 0.37
APAF1 O14727 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
RAD52 P43351 1/20 0.37
RAB9A P51151 1/20 0.37
UBE2N P61088 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CDK4 P11802 3/20 0.36
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
CCNA2 P20248 2/20 0.36
CCND1 P24385 2/20 0.36
CDK2 P24941 2/20 0.36

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) KCNH2ALDH1A1LMNAMAPTRAD52
SCHEMBL13638309 0.86 KCNH2 (0.38) KCNH2KMT2ACDK4CDK1CCNB1
SCHEMBL4474408 0.85 KCNH2 (0.50) KCNH2KDM4EALDH1A1LMNAGAA
SCHEMBL3475858 0.83 KCNH2 (0.50) KCNH2KMT2ACDK4CDK1CCNB1
SCHEMBL3477093 0.82 KCNH2 (0.48) KCNH2EIF2AK2HDAC8
SCHEMBL3473663 0.80 KCNH2 (0.47) KCNH2KDM4ENPC1ALDH1A1LMNA
SCHEMBL3478272 0.78 KCNH2 (0.40) KCNH2CDK4CDK1CCNB1CCNA2
SCHEMBL4491192 0.78 IKBKB (0.41) KCNH2KDM4EALDH1A1LMNAGAA
SCHEMBL4487841 0.78 KCNH2 (0.40) KCNH2KDM4EALDH1A1LMNAGAA
SCHEMBL3470882 0.78 KCNH2 (0.46) KCNH2CDK4CDK1CDK2HSD17B10

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 9 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
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 KCNH2 3073/4885KDM4E 839/4885APAF1 1099/4885

“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.