SCHEMBL12692

SCHEMBL12692

CCOC(=O)c1n[nH]c2c1CS(=O)(=O)c1ccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.46
PIK3CD O00329 3/20 0.42
PIK3R2 O00459 3/20 0.42
PIK3CA P42336 3/20 0.42
PIK3CB P42338 3/20 0.42
PIK3CG P48736 3/20 0.42
PIK3R5 Q8WYR1 3/20 0.42
PIK3R3 Q92569 3/20 0.42
TP53 P04637 4/20 0.41
HSD11B1 P28845 1/20 0.40
THRB P10828 2/20 0.40
LMNA P02545 1/20 0.39
AURKA O14965 1/20 0.39
MAPK10 P53779 1/20 0.39
RIPK1 Q13546 1/20 0.39
GAA P10253 1/20 0.39
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 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
SCHEMBL13061 0.81 NOTUM (0.46) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL7347 0.76 TP53 (0.66) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL13253 0.75 KDM4E (0.48) KDM4EPOLBTP53THRBAURKA
SCHEMBL2175776 0.75 NPC1 (0.48) KDM4EPOLBTP53AURKAMAPK10
SCHEMBL11637823 0.75 CCNB2 (0.42) KDM4EHSD11B1THRBLMNAGAA
SCHEMBL7346 0.73 PIK3CD (0.61) KDM4EPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL12505 0.73 PIK3CD (0.67) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL6780 0.72 PIK3CD (0.66) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL8290 0.72 PIK3CD (0.66) POLBPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL14723 0.71 PIK3CD (0.65) 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 KDM4E 1093/4885POLB 1156/4885PIK3CD 5/4885

“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.