SCHEMBL8591

SCHEMBL8591

CCOC(=O)c1nn(C2CCOCC2)c2c1CSc1ccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.47
MAPT P10636 4/20 0.47
THRB P10828 1/20 0.45
PIK3CD O00329 4/20 0.44
PIK3R2 O00459 4/20 0.44
PIK3CA P42336 4/20 0.44
PIK3CB P42338 4/20 0.44
PIK3CG P48736 4/20 0.44
PIK3R5 Q8WYR1 4/20 0.44
PIK3R3 Q92569 4/20 0.44
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL12276353 0.94 MAPT (0.45) TP53MAPTTHRBPIK3CDPIK3R2
SCHEMBL12449808 0.91 RAB9A (0.50) TP53MAPTTHRBRAB9AL3MBTL1
SCHEMBL12449813 0.90 RAB9A (0.52) TP53MAPTTHRBRAB9AL3MBTL1
SCHEMBL7605 0.90 RAB9A (0.52) TP53MAPTTHRBRAB9AL3MBTL1
SCHEMBL12276443 0.89 KMT2A (0.52) TP53MAPTTHRBPIK3CDPIK3R2
SCHEMBL13101 0.89 THRB (0.46) TP53MAPTTHRBPIK3CDPIK3R2
SCHEMBL13225 0.89 PIK3CD (0.46) TP53MAPTTHRBPIK3CDPIK3R2
SCHEMBL8490 0.89 THRB (0.45) TP53MAPTTHRBPIK3CDPIK3R2
SCHEMBL12275497 0.88 PIK3CD (0.45) TP53MAPTTHRBPIK3CDPIK3R2
SCHEMBL12275803 0.88 THRB (0.44) TP53MAPTTHRBRAB9AL3MBTL1

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
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 TP53 731/4885MAPT 965/4885THRB 1646/4885

“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.