SCHEMBL13633634

SCHEMBL13633634

CO/N=C(\C)c1ccc(-c2ccc(-c3nc(NC4CC(C)(C)NC(C)(C)C4)ncc3C)s2)s1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.31
JAK1 P23458 1/20 0.31
CCNT1 O60563 1/20 0.30
CCNK O75909 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
CDK7 P50613 1/20 0.30
CDK9 P50750 1/20 0.30
CCNH P51946 1/20 0.30
CDK12 Q9NYV4 1/20 0.30

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
SCHEMBL4558704 1.00 KCNH2 (0.31) KCNH2JAK1CCNT1CCNKCCNE1
SCHEMBL4478869 0.86 GLA (0.34) KCNH2CCNT1CCNKCCNE1CDK2
SCHEMBL3471086 0.78 KCNH2 (0.36) KCNH2JAK1CCNT1CCNKCCNE1
SCHEMBL3475960 0.77 CDK2 (0.35) KCNH2JAK1CCNT1CCNKCCNE1
SCHEMBL4494160 0.75 IKBKB (0.33) KCNH2JAK1CCNT1CCNKCDK2
SCHEMBL13638505 0.75 JUN (0.31) CCNT1CCNKCCNE1CDK2CDK7
SCHEMBL4482123 0.74 RPS6KB2 (0.41)
SCHEMBL4489312 0.72 ROCK2 (0.36) KCNH2CCNKCDK12
SCHEMBL13633644 0.72 ROCK2 (0.36) KCNH2CCNKCDK12
SCHEMBL3476836 0.72 KCNH2 (0.42) KCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3073/4885JAK1 56/4885CCNT1 1265/4885

“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.