SCHEMBL4127863

SCHEMBL4127863

Brc1cnc2nc(OCCN3CCOCC3)nc(N3CCOCC3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.41
TSHR P16473 1/20 0.39
KRAS P01116 1/20 0.39
SYK P43405 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
PDE10A Q9Y233 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
PIK3CA P42336 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MTOR P42345 1/20 0.36

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
SCHEMBL4130811 0.87 MKNK1 (0.41) MKNK1KRASSYKALDH1A1PDE10A
SCHEMBL4121842 0.82 KMT2A (0.45) MKNK1KRASALDH1A1MAPTMAPK1
SCHEMBL426091 0.81 MKNK1 (0.43) MKNK1TSHRKRASPIK3CAMTOR
SCHEMBL425520 0.80 ACHE (0.42) SYKALDH1A1SIGMAR1MAPK1KDM4E
SCHEMBL425642 0.80 KIT (0.42) MKNK1SYKALDH1A1PDE10ASIGMAR1
SCHEMBL430672 0.79 PIK3CA (0.44) MKNK1ALDH1A1MAPTHTTPDE10A
SCHEMBL426019 0.78 MAOB (0.41) MKNK1KRASALDH1A1MAPTSIGMAR1
SCHEMBL426104 0.78 AKT1 (0.46) MKNK1KRASSYKSIGMAR1PIK3CA
SCHEMBL17310187 0.77 ALDH1A1 (0.48) TSHRSYKALDH1A1MAPTHTT
SCHEMBL426851 0.77 GAA (0.44) ALDH1A1MAPTHTTPIK3CA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318730-B2 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2012-11-27 US disclosed
US-7615552-B2 Fused heterocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-11-10 US disclosed
US-20090253694-A1 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-10-08 US disclosed
EP-1687002-A4 FUSED HETEROCYCLIC COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2008-07-23 EP disclosed
EP-1687002-A1 FUSED HETEROCYCLIC COMPOUNDS Synta Pharmaceuticals Corporation (US) 2006-08-09 EP disclosed
US-20050250770-A1 Fused heterocyclic compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-11-10 US disclosed
WO-2005046698-A1 FUSED HETEROCYCLIC COMPOUNDS SYNTA PHARMACEUTICALS, CORP. (US) 2005-05-26 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 (2 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-20050250770-A1 Fused heterocyclic compounds IL2, IL4, IL15 MKNK1 3226/4885TSHR 3070/4885KRAS 354/4885
US-20090253694-A1 Fused hetrocyclic compounds IL2, IL15, IL4 MKNK1 3789/4885TSHR 4074/4885KRAS 353/4885

“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.