SCHEMBL6776

SCHEMBL6776

CCOC(=O)c1nn(-c2ccccc2F)c2c1CS(=O)(=O)c1ccccc1-2

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.64
PIK3R2 O00459 12/20 0.64
PIK3CA P42336 12/20 0.64
PIK3CB P42338 12/20 0.64
PIK3CG P48736 12/20 0.64
PIK3R5 Q8WYR1 12/20 0.64
PIK3R3 Q92569 12/20 0.64
NPSR1 Q6W5P4 2/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 3/20 0.54
MAPT P10636 1/20 0.46

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
SCHEMBL8290 0.90 PIK3CD (0.66) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL7938 0.88 PIK3CD (0.64) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL6578 0.88 PIK3CD (0.65) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12275679 0.87 PIK3CD (0.67) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL8239 0.87 PIK3CD (0.69) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12276217 0.87 PIK3CD (0.52) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL7189 0.86 PIK3CD (0.64) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL7346 0.86 PIK3CD (0.61) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL7752 0.86 PIK3CD (0.51) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL7287 0.84 PIK3CD (0.71) 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 11 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
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-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US 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
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 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
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.