SCHEMBL13227

SCHEMBL13227

CCOC(=O)c1nn(C2CCCCC2)c2c1CSc1sccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
OGFRL1 Q5TC84 4/20 0.38
OPRM1 P35372 3/20 0.38
OPRK1 P41145 3/20 0.38
OPRD1 P41143 2/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPK1 P28482 1/20 0.38
PDE7A Q13946 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ELANE P08246 2/20 0.37
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL12793 0.90 PIK3CD (0.46) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12777 0.84 PIK3CD (0.42) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12449813 0.83 RAB9A (0.52) OGFRL1OPRM1OPRK1OPRD1KMT2A
SCHEMBL7605 0.83 RAB9A (0.52) OGFRL1OPRM1OPRK1OPRD1KMT2A
SCHEMBL12449808 0.82 RAB9A (0.50) OGFRL1OPRM1OPRK1OPRD1KMT2A
SCHEMBL12449814 0.81 PIK3CD (0.42) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL13275 0.81 PIK3CD (0.65) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12276967 0.80 PIK3CD (0.43) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12276823 0.78 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL13182 0.75 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 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.