SCHEMBL12860

SCHEMBL12860

CCOC(=O)c1nn(C2CCCNC2)c2c1CSc1c(Cl)cccc1-2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.41
PIK3R2 O00459 11/20 0.41
PIK3CA P42336 11/20 0.41
PIK3CB P42338 11/20 0.41
PIK3CG P48736 11/20 0.41
PIK3R5 Q8WYR1 11/20 0.41
PIK3R3 Q92569 11/20 0.41
PCSK9 Q8NBP7 4/20 0.39
F10 P00742 1/20 0.35
ELANE P08246 1/20 0.35
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL12276444 0.92 PIK3CD (0.41) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL14808 0.91 PIK3CD (0.41) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12276940 0.90 PIK3CD (0.40) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12449822 0.87 PIK3CD (0.44) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL14807 0.85 PIK3CD (0.39) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12249 0.84 PIK3CD (0.49) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12449820 0.81 THRB (0.43) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12276784 0.81 PIK3CD (0.41) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL14733 0.80 PIK3CD (0.49) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL14811 0.80 PIK3CD (0.44) 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.