SCHEMBL13165

SCHEMBL13165

CCOC(=O)c1nn(-c2cccc(Cl)c2)c2c1CSc1ccccc1-2

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
ADORA1 P30542 1/20 0.49
MAPT P10636 2/20 0.46
TP53 P04637 4/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.45
THRB P10828 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
ELANE P08246 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CCNA1 P78396 1/20 0.43

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
SCHEMBL6982 0.91 POLB (0.51) ALDH1A1MAPTTP53THRBNPSR1
SCHEMBL7951 0.90 MAPT (0.52) ALDH1A1MAPTTP53THRBNPSR1
SCHEMBL6648 0.90 ALDH1A1 (0.53) ALDH1A1ADORA1MAPTTP53THRB
SCHEMBL7946 0.90 THRB (0.44) ALDH1A1MAPTTP53THRBNPSR1
SCHEMBL13206 0.90 TP53 (0.47) ALDH1A1MAPTTP53THRBNPSR1
SCHEMBL13201 0.90 ALDH1A1 (0.57) ALDH1A1MAPTTP53THRBNPSR1
SCHEMBL14797 0.89 ALDH1A1 (0.49) ALDH1A1MAPTTP53THRBNPSR1
SCHEMBL12794 0.88 THRB (0.43) ALDH1A1MAPTTP53HTTTHRB
SCHEMBL12276342 0.88 ALDH1A1 (0.46) ALDH1A1MAPTTP53THRBNPSR1
SCHEMBL7724 0.86 CCNA2 (0.57) ALDH1A1MAPTTP53THRBNPSR1

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 ALDH1A1 3185/4885ADORA1 1490/4885MAPT 965/4885

“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.