SCHEMBL4121842

SCHEMBL4121842

O=[N+]([O-])c1cnc2nc(OCCN3CCOCC3)nc(N3CCOCC3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
CYP2D6 P10635 1/20 0.38

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 0.82 MKNK1 (0.41) ALDH1A1POLBKDM4EMKNK1KRAS
SCHEMBL4127863 0.82 MKNK1 (0.41) ALDH1A1MAPTKDM4EMAPK1MKNK1
SCHEMBL4121635 0.79 ALDH1A1 (0.48) KMT2ASMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL426091 0.77 MKNK1 (0.43) POLBNPC1RAB9AMKNK1KRAS
SCHEMBL425642 0.76 KIT (0.42) KMT2AALDH1A1MEN1POLBNPC1
SCHEMBL425520 0.76 ACHE (0.42) KMT2ASMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL430672 0.75 PIK3CA (0.44) KMT2AALDH1A1MEN1POLBMAPT
SCHEMBL426104 0.74 AKT1 (0.46) KMT2ASMN1; SMN2MEN1POLBNPC1
SCHEMBL426019 0.74 MAOB (0.41) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL426851 0.73 GAA (0.44) ALDH1A1CNR1CNR2MAPTGAA

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 KMT2A 2143/4885SMN1; SMN2 1865/4885ALDH1A1 842/4885
US-20090253694-A1 Fused hetrocyclic compounds IL2, IL15, IL4 KMT2A 2644/4885SMN1; SMN2 2900/4885ALDH1A1 1338/4885

“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.