SCHEMBL7894

SCHEMBL7894

O=C(O)c1nn(-c2ccccc2)c2c1CSc1ccc([N+](=O)[O-])cc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.49
PIK3R2 O00459 1/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CB P42338 1/20 0.49
PIK3CG P48736 1/20 0.49
PIK3R5 Q8WYR1 1/20 0.49
PIK3R3 Q92569 1/20 0.49
KDM4E B2RXH2 1/20 0.43
TP53 P04637 2/20 0.40
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CTSL P07711 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL7318 0.87 MEN1 (0.49) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL7801 0.86 PIK3CD (0.69) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL7842 0.84 MAPT (0.50) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12275859 0.83 PIK3CD (0.46) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL8112186 0.82 TP53 (0.55) TP53MAPTPTGS1PTGS2RAB9A
SCHEMBL9522810 0.76 TP53 (0.39) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12276004 0.76 PTGS1 (0.49) KDM4ETP53MAPTPTGS1PTGS2
SCHEMBL9833362 0.75 PTGS1 (0.43) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12230917 0.75 TP53 (0.50) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL5258125 0.75 TP53 (0.57) 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 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 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.