SCHEMBL14733

SCHEMBL14733

CCOC(=O)c1nn(C2CCCN(C(=O)OC(C)(C)C)C2)c2c1CSc1c(Cl)cccc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.49
PIK3R2 O00459 12/20 0.49
PIK3CA P42336 12/20 0.49
PIK3CB P42338 12/20 0.49
PIK3CG P48736 12/20 0.49
PIK3R5 Q8WYR1 12/20 0.49
PIK3R3 Q92569 12/20 0.49
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
BTK Q06187 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
APLNR P35414 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
SCHEMBL14734 0.93 PIK3CD (0.49) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12276179 0.91 PIK3CD (0.48) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12449825 0.88 PIK3CD (0.52) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL14731 0.87 PIK3CD (0.47) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12818 0.85 PIK3CD (0.60) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12449824 0.83 PIK3CD (0.51) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12695 0.83 PIK3CD (0.45) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12276306 0.82 PIK3CD (0.52) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12276234 0.82 PIK3CD (0.45) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12554 0.82 PIK3CD (0.45) 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 8 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
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.