SCHEMBL8639

SCHEMBL8639

O=C(O)c1[nH]nc2c1CS(=O)(=O)c1ccccc1-2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.65
PIK3R2 O00459 3/20 0.65
PIK3CA P42336 3/20 0.65
PIK3CB P42338 3/20 0.65
PIK3CG P48736 3/20 0.65
PIK3R5 Q8WYR1 3/20 0.65
PIK3R3 Q92569 3/20 0.65
ALPL P05186 3/20 0.54
KDM4E B2RXH2 2/20 0.54
HSD17B10 Q99714 2/20 0.54
ALDH1A1 P00352 1/20 0.54
NOTUM Q6P988 1/20 0.46
GSR P00390 2/20 0.42
TP53 P04637 2/20 0.41
MEN1 O00255 1/20 0.41
CLK1 P49759 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL7558 0.80 PIK3CD (1.00) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL13061 0.75 NOTUM (0.46) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL646283 0.70 KDM4E (1.00) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL11883919 0.65 NOTUM (0.54) KDM4ENOTUMMEN1KMT2ALMNA
SCHEMBL7170 0.64 PIK3CD (0.71) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12692 0.64 KDM4E (0.47) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL6792246 0.63 MEN1 (0.67) ALPLKDM4EHSD17B10ALDH1A1GSR
SCHEMBL14053151 0.63 NOTUM (1.00) KDM4EHSD17B10ALDH1A1NOTUMMEN1
SCHEMBL30021211 0.63 NOTUM (1.00) KDM4EHSD17B10ALDH1A1NOTUMMEN1
SCHEMBL10612373 0.63 PIK3CD (0.36) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
EP-2499146-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES Merck Serono S.A. (CH) 2012-09-19 EP disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 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-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA PIK3CD 5/4885PIK3R2 27/4885PIK3CA 7/4885

“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.