SCHEMBL4485961

SCHEMBL4485961

CNS(=O)(=O)c1cccc2cc[nH]c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 1/20 0.57
▸ PGR P06401 1/20 0.57
▸ NR3C2 P08235 1/20 0.57
▸ AR P10275 1/20 0.57
▸ ACLY P53396 1/20 0.50
▸ TSHR P16473 1/20 0.44
▸ AHR P35869 1/20 0.43
▸ BCHE P06276 3/20 0.42
▸ KEAP1 Q14145 1/20 0.42
▸ PDPK1 O15530 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ALOX5AP P20292 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ NAMPT P43490 1/20 0.37

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
SCHEMBL27698956 0.83 NR3C1 (0.57) NR3C1PGRNR3C2ARACLY
SCHEMBL593678 0.80 NR3C1 (0.62) NR3C1PGRNR3C2ARACLY
SCHEMBL3789155 0.77 NR3C1 (0.53) NR3C1PGRNR3C2ARACLY
SCHEMBL30136554 0.77 AR (0.53) NR3C1PGRNR3C2ARACLY
SCHEMBL30136569 0.77 NR3C1 (0.53) NR3C1PGRNR3C2ARACLY
SCHEMBL1018276 0.77 AR (0.53) NR3C1PGRNR3C2ARACLY
SCHEMBL25599218 0.76 NR3C1 (0.53) NR3C1PGRNR3C2ARACLY
SCHEMBL3792302 0.76 NR3C1 (0.53) NR3C1PGRNR3C2ARACLY
SCHEMBL28322905 0.75 NR3C1 (0.51) NR3C1PGRNR3C2ARACLY
Hydrochloric Acid SCHEMBL27765603 0.75 NR3C1 (0.51) NR3C1PGRNR3C2ARACLY

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
EP-1615898-B1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2014-10-29 — — EP disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 — — 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-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 NR3C1 1923/4885PGR 3223/4885NR3C2 2137/4885

“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.

Send feedback