SCHEMBL7515

SCHEMBL7515

CCOC(=O)c1nn(-c2ccccc2F)c2c1CSc1ccccc1-2

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 7/20 0.49
THRB P10828 1/20 0.46
TP53 P04637 7/20 0.46
KDM4E B2RXH2 1/20 0.43
HPGD P15428 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
SCHEMBL7769 0.90 MAPT (0.48) NPSR1ALDH1A1MAPTTHRBTP53
SCHEMBL7955 0.88 THRB (0.46) NPSR1ALDH1A1MAPTTHRBTP53
SCHEMBL7364 0.88 PDE4B (0.49) NPSR1ALDH1A1MAPTTHRBTP53
SCHEMBL14685 0.87 TP53 (0.49) MAPTTHRBTP53
SCHEMBL7322 0.87 TP53 (0.47) NPSR1ALDH1A1MAPTTHRBTP53
SCHEMBL7723 0.86 THRB (0.45) NPSR1ALDH1A1MAPTTHRBTP53
SCHEMBL12275918 0.86 MAPT (0.47) NPSR1ALDH1A1MAPTTHRBTP53
SCHEMBL7334 0.86 TP53 (0.59) NPSR1ALDH1A1MAPTTHRBTP53
SCHEMBL6648 0.85 ALDH1A1 (0.53) NPSR1ALDH1A1MAPTTHRBTP53
SCHEMBL7724 0.84 CCNA2 (0.57) NPSR1ALDH1A1MAPTTHRBTP53

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 11 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
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 NPSR1 4026/4885ALDH1A1 3185/4885MAPT 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.