SCHEMBL13253

SCHEMBL13253

CCOC(=O)c1n[nH]c2c1CSc1ccccc1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.47
TP53 P04637 4/20 0.41
MAPT P10636 3/20 0.40
THRB P10828 1/20 0.40
KIT P10721 1/20 0.40
FLT1 P17948 1/20 0.40
KDR P35968 1/20 0.40
AURKA O14965 1/20 0.39
MAPK10 P53779 1/20 0.39
RIPK1 Q13546 1/20 0.39
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38

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
SCHEMBL4729877 0.77 MAPT (0.43) KDM4EPOLBTP53MAPTMEN1
SCHEMBL2175776 0.76 NPC1 (0.48) KDM4EPOLBTP53MAPTAURKA
SCHEMBL6900 0.75 THRB (0.66) TP53MAPTTHRBKMT2A
SCHEMBL12692 0.75 KDM4E (0.47) KDM4EPOLBTP53THRBAURKA
SCHEMBL12449821 0.74 THRB (0.46) TP53MAPTTHRBKMT2A
SCHEMBL6648 0.73 ALDH1A1 (0.53) KDM4ETP53MAPTTHRBALOX15
SCHEMBL8490 0.73 THRB (0.45) TP53MAPTTHRBKMT2A
SCHEMBL12449820 0.71 THRB (0.43) TP53MAPTTHRBKMT2A
SCHEMBL7724 0.71 CCNA2 (0.57) KDM4ETP53MAPTTHRBNPSR1
SCHEMBL7769 0.71 MAPT (0.48) KDM4ETP53MAPTTHRBNPSR1

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 KDM4E 1093/4885POLB 1156/4885TP53 731/4885

“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.