SCHEMBL7732

SCHEMBL7732

CCOC(=O)c1nn(-c2ccccc2)c(Br)c1CBr

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.58
KDM4E B2RXH2 4/20 0.58
HSD17B10 Q99714 2/20 0.58
HPGD P15428 2/20 0.58
ALOX12 P18054 2/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
PDE4D Q08499 2/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
HTT P42858 1/20 0.51
MAPT P10636 2/20 0.50
APP P05067 1/20 0.50
ADORA1 P30542 2/20 0.49
ALOX15 P16050 1/20 0.49
CASP1 P29466 1/20 0.49
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48

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
SCHEMBL11144 0.90 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10HPGDALOX12
SCHEMBL12620 0.89 ALDH1A1 (0.57) ALDH1A1KDM4EHSD17B10HPGDALOX12
SCHEMBL7613 0.81 ALDH1A1 (0.57) ALDH1A1KDM4EHSD17B10HPGDALOX12
SCHEMBL12276674 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10HPGDALOX12
SCHEMBL13741611 0.76 KDM4E (0.64) ALDH1A1KDM4EHSD17B10HPGDALOX12
SCHEMBL4038334 0.75 ALDH1A1 (0.74) ALDH1A1KDM4EHSD17B10HPGDALOX12
SCHEMBL3262118 0.74 LMNA (0.61) ALDH1A1KDM4EHSD17B10HPGDALOX12
SCHEMBL27889662 0.74 MAPK1 (0.44) ALDH1A1KDM4EHSD17B10HPGDCYP3A4
SCHEMBL17259302 0.74 ALDH1A1 (0.55) ALDH1A1KDM4EHSD17B10HPGDALOX12
SCHEMBL13858612 0.74 ALDH1A1 (0.61) ALDH1A1KDM4EHSD17B10HPGDALOX12

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 ALDH1A1 3185/4885KDM4E 1093/4885HSD17B10 3456/4885

“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.