SCHEMBL13283

SCHEMBL13283

CCOC(=O)c1nn(-c2ccccc2)c2c1CS(=O)(=O)c1ccncc1-2

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.64
PIK3R2 O00459 16/20 0.64
PIK3CA P42336 16/20 0.64
PIK3CB P42338 16/20 0.64
PIK3CG P48736 16/20 0.64
PIK3R5 Q8WYR1 16/20 0.64
PIK3R3 Q92569 16/20 0.64
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CCNA1 P78396 1/20 0.47

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
SCHEMBL7346 0.89 PIK3CD (0.61) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL13169 0.88 PIK3CD (0.65) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12276276 0.86 PIK3CD (0.73) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL7218 0.84 PIK3CD (0.65) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12276697 0.84 PIK3CD (0.65) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL6780 0.83 PIK3CD (0.66) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL7060 0.83 PIK3CD (0.68) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12276042 0.83 PIK3CD (0.68) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL7000 0.83 PIK3CD (0.68) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL13250 0.83 PIK3CD (0.56) 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 9 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
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.