SCHEMBL7754

SCHEMBL7754

CCOC(=O)c1nn(-c2ccccc2)c2c1CS(=O)(=O)c1c(C#N)cccc1-2

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.54
PIK3R2 O00459 14/20 0.54
PIK3CA P42336 14/20 0.54
PIK3CB P42338 14/20 0.54
PIK3CG P48736 14/20 0.54
PIK3R5 Q8WYR1 14/20 0.54
PIK3R3 Q92569 14/20 0.54
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 4/20 0.52
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HPGD P15428 2/20 0.45
HSD17B10 Q99714 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL7308 0.88 PIK3CD (0.65) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL7927 0.88 PIK3CD (0.65) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL13243 0.87 PIK3CD (0.69) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL7516 0.86 PIK3CD (0.57) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL7346 0.84 PIK3CD (0.61) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL13270 0.83 PIK3CD (0.64) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12276029 0.82 PIK3CD (0.67) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12882 0.81 ALDH1A1 (0.52) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL12276449 0.79 PIK3CD (0.64) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL6780 0.79 PIK3CD (0.66) 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 10 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

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.