SCHEMBL4496667

SCHEMBL4496667

C/C=C(\C)c1ccc(-c2ccc(-c3ccnc(NC4CC(C)(C)NC(C)(C)C4)n3)s2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.35
KCNH2 Q12809 2/20 0.35
ROCK2 O75116 3/20 0.34
CCNK O75909 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
HDAC8 Q9BY41 4/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
CDK1 P06493 2/20 0.32
CDK4 P11802 2/20 0.32
CCNB1 P14635 2/20 0.32
CCNA2 P20248 2/20 0.32
CCND1 P24385 2/20 0.32
CDK2 P24941 2/20 0.32
CCNA1 P78396 2/20 0.32
MAPK8 P45983 2/20 0.32
MAPK9 P45984 2/20 0.32
MAPK10 P53779 2/20 0.32
MAPK14 Q16539 1/20 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
SCHEMBL4496670 1.00 IKBKB (0.35) IKBKBKCNH2ROCK2CCNKCDK12
SCHEMBL4496658 1.00 IKBKB (0.35) IKBKBKCNH2ROCK2CCNKCDK12
SCHEMBL4486964 0.89 GSK3B (0.39) IKBKBKCNH2ROCK2CCNKCDK12
SCHEMBL16192806 0.87 RARA (0.47) IKBKBKCNH2ROCK2CCNKCDK12
SCHEMBL4481480 0.87 IKBKB (0.38) IKBKBKCNH2CDK1CDK4CCNB1
SCHEMBL3477810 0.85 ROCK2 (0.39) ROCK2CCNKCDK12HDAC8RARA
SCHEMBL4489312 0.85 ROCK2 (0.36) IKBKBKCNH2ROCK2CCNKCDK12
SCHEMBL13633644 0.85 ROCK2 (0.36) IKBKBKCNH2ROCK2CCNKCDK12
SCHEMBL3470921 0.85 IKBKB (0.51) IKBKBKCNH2HDAC8CCNA2CDK2
SCHEMBL3478098 0.84 LMNA (0.41) IKBKBKCNH2ROCK2CDK1CDK4

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 6 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-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 IKBKB 2/4885KCNH2 3073/4885ROCK2 2680/4885

“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.