SCHEMBL14780

SCHEMBL14780

O=C(O)c1nn(-c2ccccc2)c2c1CSc1c(Br)cccc1-2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.46
PIK3R2 O00459 12/20 0.46
PIK3CA P42336 12/20 0.46
PIK3CB P42338 12/20 0.46
PIK3CG P48736 12/20 0.46
PIK3R5 Q8WYR1 12/20 0.46
PIK3R3 Q92569 12/20 0.46
CYP1A2 P05177 1/20 0.40
HIF1A Q16665 1/20 0.40
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CCNA1 P78396 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.37
PTGS2 P35354 2/20 0.37
PTGS1 P23219 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
SCHEMBL7263 0.85 ALDH1A1 (0.48) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL13322 0.85 PIK3CD (0.68) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL8112186 0.82 TP53 (0.55) CYP1A2HIF1ATP53PTGS2PTGS1
SCHEMBL12275859 0.78 PIK3CD (0.46) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL7185 0.76 PIK3CD (0.74) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12276004 0.75 PTGS1 (0.49) CYP1A2HIF1ATP53PTGS2PTGS1
SCHEMBL5258125 0.74 TP53 (0.57) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12230917 0.74 TP53 (0.50) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12230920 0.74 POLB (0.54) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL8934190 0.73 PTGS2 (0.69) CCNA2CDK2CCNA1TP53PTGS2

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.