SCHEMBL7318

SCHEMBL7318

CCOC(=O)c1nn(-c2ccccc2)c2c1CSc1ccc([N+](=O)[O-])cc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
ALOX12 P18054 1/20 0.49
KMT2A Q03164 1/20 0.49
ELANE P08246 2/20 0.47
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PDE4B Q07343 3/20 0.45
PDE4D Q08499 3/20 0.45
ALDH1A1 P00352 4/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PIK3CD O00329 1/20 0.44
PIK3R2 O00459 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
PIK3R5 Q8WYR1 1/20 0.44
PIK3R3 Q92569 1/20 0.44

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
SCHEMBL7894 0.87 PIK3CD (0.49) MEN1KMT2AMAPTALDH1A1PIK3CD
SCHEMBL7038 0.86 MAPT (0.52) ELANEMAPTALDH1A1TP53MITF
SCHEMBL7795 0.85 ALDH1A1 (0.55) MEN1ALOX12KMT2AMAPTHTT
SCHEMBL12276272 0.85 ALDH1A1 (0.48) MEN1ALOX12KMT2AELANEMAPT
SCHEMBL9523795 0.85 ALDH1A1 (0.50) MEN1ALOX12KMT2AMAPTHTT
SCHEMBL6648 0.85 ALDH1A1 (0.53) ALOX12MAPTPDE4DALDH1A1CYP3A4
SCHEMBL14532704 0.84 MEN1 (0.51) MEN1ALOX12KMT2AELANEMAPT
SCHEMBL9525320 0.84 ALDH1A1 (0.47) MEN1ALOX12KMT2AMAPTHTT
SCHEMBL14730 0.84 CCNA2 (0.53) ALOX12KMT2AELANEMAPTHTT
SCHEMBL9526026 0.84 ALDH1A1 (0.48) MEN1ALOX12KMT2AMAPTHTT

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 MEN1 1024/4885ALOX12 1865/4885KMT2A 936/4885

“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.