SCHEMBL6732

SCHEMBL6732

O=C(O)c1nn(-c2ccc(=O)[nH]c2)c2c1CSc1ccccc1-2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.45
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
MAPT P10636 3/20 0.42
THRB P10828 1/20 0.41
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.39
HIF1A Q16665 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39

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
SCHEMBL7313 0.85 CCNA2 (0.48) TP53MAPTTHRBCCNA2CDK2
SCHEMBL8112186 0.85 TP53 (0.55) TP53PTGS1PTGS2MAPTTHRB
SCHEMBL12276004 0.83 PTGS1 (0.49) TP53PTGS1PTGS2MAPTTHRB
SCHEMBL12230917 0.82 TP53 (0.50) TP53PTGS1PTGS2MAPTTHRB
SCHEMBL5258125 0.82 TP53 (0.57) TP53PTGS1PTGS2MAPTTHRB
SCHEMBL12230898 0.80 CCNA2 (0.56) TP53PTGS1PTGS2MAPTTHRB
SCHEMBL8934190 0.79 PTGS2 (0.69) TP53PTGS1PTGS2MAPTCCNA2
SCHEMBL12230920 0.77 POLB (0.54) TP53MAPTTHRBRAB9AL3MBTL1
SCHEMBL9523265 0.76 TP53 (0.53) TP53PTGS1PTGS2MAPTTHRB
SCHEMBL12230937 0.76 CCNA2 (0.46) TP53MAPTTHRBRAB9AL3MBTL1

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 5 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-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

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 TP53 731/4885PTGS1 650/4885PTGS2 949/4885

“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.