SCHEMBL4478869

SCHEMBL4478869

CC(=O)c1ccc(-c2ccc(-c3nc(NC4CC(C)(C)NC(C)(C)C4)ncc3C)s2)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.34
HSD17B10 Q99714 1/20 0.34
KCNH2 Q12809 1/20 0.33
JUN P05412 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
CCNK O75909 4/20 0.33
CDK12 Q9NYV4 4/20 0.33
CDK7 P50613 3/20 0.33
CCNH P51946 3/20 0.33
CCNT1 O60563 3/20 0.33
CDK9 P50750 3/20 0.33
MNAT1 P51948 2/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL13638505 0.88 JUN (0.31) JUNMAPK8MAPK9MAPK10CCNK
SCHEMBL13633634 0.86 KCNH2 (0.31) KCNH2CCNKCDK12CDK7CCNH
SCHEMBL4558704 0.86 KCNH2 (0.31) KCNH2CCNKCDK12CDK7CCNH
SCHEMBL3476590 0.83 AKT3 (0.41) KCNH2MAPK8MAPK9MAPK10CYP3A4
SCHEMBL3471086 0.82 KCNH2 (0.36) KCNH2JUNCCNKCDK12CDK7
SCHEMBL4491124 0.81 AKT3 (0.42) KCNH2MAPK8MAPK9MAPK10CYP3A4
SCHEMBL3475960 0.80 CDK2 (0.35) KCNH2CCNKCDK12CDK7CCNH
SCHEMBL4494160 0.79 IKBKB (0.33) KCNH2JUNMAPK8MAPK9MAPK10
SCHEMBL4482123 0.77 RPS6KB2 (0.41) GLAHSD17B10JUNMAPK8MAPK9
SCHEMBL3476962 0.75 KCNH2 (0.58) KCNH2CCNKCDK12CDK7CCNH

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 11 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-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
EP-1615898-A1 2-AMINOPYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE Novartis AG (CH) 2006-01-18 EP disclosed
WO-2004089913-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NOVARTIS AG (CH) 2004-10-21 WO 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 GLA 3101/4885HSD17B10 3878/4885KCNH2 3073/4885

“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.