SCHEMBL3477890

SCHEMBL3477890

CC(C)(O)/C=C/c1ccc(-c2ccnc(NC3CC(C)(C)NC(C)(C)C3)n2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.35
CCNK O75909 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
CDK4 P11802 8/20 0.32
CCND1 P24385 5/20 0.32
CDK1 P06493 4/20 0.32
CCNB1 P14635 4/20 0.32
CCNA2 P20248 4/20 0.32
CDK2 P24941 4/20 0.32
CCNA1 P78396 4/20 0.32
IKBKB O14920 3/20 0.32
MAPK9 P45984 3/20 0.32
TEC P42680 1/20 0.31
TXK P42681 1/20 0.31
BTK Q06187 1/20 0.31
ITK Q08881 1/20 0.31
GSK3B P49841 1/20 0.31
RET P07949 1/20 0.31
KDR P35968 1/20 0.31
CHUK O15111 1/20 0.31

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
SCHEMBL3477893 1.00 KCNH2 (0.35) KCNH2CCNKCDK12CDK4CCND1
SCHEMBL4478358 0.91 KCNH2 (0.36) KCNH2CCNKCDK12CDK4CCND1
SCHEMBL4478351 0.91 KCNH2 (0.36) KCNH2CCNKCDK12CDK4CCND1
SCHEMBL13638455 0.87 MAPK9 (0.33) CCNKCDK12CDK4CCND1CDK1
SCHEMBL16199971 0.86 KCNH2 (0.41) KCNH2CDK4CCND1CDK1CCNB1
SCHEMBL3478289 0.84 KCNH2 (0.35) KCNH2CCNKCDK12CDK4CCND1
SCHEMBL3478285 0.84 KCNH2 (0.35) KCNH2CCNKCDK12CDK4CCND1
SCHEMBL3472300 0.82 IKBKB (0.38) KCNH2CDK4CCND1CDK1CCNB1
SCHEMBL4491170 0.78 KCNH2 (0.35) KCNH2CDK4CCND1CDK1CCNB1
SCHEMBL4484036 0.78 KCNH2 (0.35) KCNH2CDK4CCND1CDK1CCNB1

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 10 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
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 3073/4885CCNK 1085/4885CDK12 1021/4885

“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.