SCHEMBL411898

SCHEMBL411898

COc1ccc(-c2[nH]nnc2-c2c[c]c[c]c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
SCN4A P35499 1/20 0.41
XDH P47989 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.37
NOX1 Q9Y5S8 1/20 0.37
MAPT P10636 4/20 0.36
KDM4E B2RXH2 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DYRK1A Q13627 1/20 0.35

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
SCHEMBL27630900 0.79 GCGR (0.46) KMT2ANPC1RAB9AMEN1NOX1
SCHEMBL3276928 0.79 MAPK14 (0.53) KMT2ASCN4ANPC1RAB9AMEN1
SCHEMBL27630953 0.79 DYRK1B (0.45) KMT2ASCN4AXDHRAB9AMEN1
SCHEMBL701773 0.77 XDH (0.49) KMT2AXDHRAB9AMAPTKDM4E
SCHEMBL411907 0.77 GSK3A (0.43) KMT2ASCN4AXDHNPC1RAB9A
SCHEMBL702632 0.77 KMT2A (0.49) KMT2ASCN4AXDHNPC1RAB9A
SCHEMBL411698 0.75 TUBB4A (0.56) KMT2AMEN1MAPTKDM4ETP53
SCHEMBL702859 0.75 IDO1 (0.43) KMT2ASCN4AXDHNPC1RAB9A
SCHEMBL703856 0.74 NPC1 (0.55) KMT2ANPC1RAB9AMAPTKDM4E
SCHEMBL411388 0.74 TUBB4A (0.54) KMT2AMEN1MAPTKDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9175022-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2015-11-03 US disclosed
US-20130338112-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2013-12-19 US disclosed
US-8501790-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-08-06 US disclosed
EP-1919881-B1 1, 2, 3 -TRIAZOLES INHIBITORS OF TUBULIN POLYMERIZATION FOR THE TREATMENT OF POLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2013-04-10 EP disclosed
US-20120022118-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2012-01-26 US disclosed
US-20100279410-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2010-11-04 US disclosed
US-7781462-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2010-08-24 US disclosed
US-20100093670-A1 Compounds for the treatment of angiogenesis SYNTA PHARMACEUTICALS CORP. 2010-04-15 US disclosed
EP-2059250-A2 COMPOUNDS FOR THE TREATMENT OF ANGIOGENESIS Synta Pharmaceuticals Corporation (US) 2009-05-20 EP disclosed
EP-1919881-A1 1, 2, 3 -TRIAZOLES INHIBITORS OF TUBULIN POLYMERIZATION FOR THE TREATMENT OF POLIFERATIVE DISORDERS Synta Pharmaceuticals Corporation (US) 2008-05-14 EP disclosed
WO-2008033449-A2 COMPOUNDS FOR THE TREATMENT OF ANGIOGENESIS SYNTA PHARMACEUTICALS CORP. (US) 2008-03-20 WO disclosed
US-20070238699-A1 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. 2007-10-11 US disclosed
WO-2007014198-A1 1, 2, 3 -TRIAZOLES INHIBITORS OF TUBULIN POLYMERIZATION FOR THE TREATMENT OF POLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2007-02-01 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 (4 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-20070238699-A1 Compounds for the treatment of proliferative disorders RB1, MKI67, MAPRE1 KMT2A 2808/4885SCN4A 3595/4885XDH 4194/4885
US-20120022118-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 KMT2A 2808/4885SCN4A 3595/4885XDH 4194/4885
US-20100093670-A1 Compounds for the treatment of angiogenesis FLT4, FLT1, TEK KMT2A 3944/4885SCN4A 4455/4885XDH 1109/4885
US-20130338112-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 KMT2A 2808/4885SCN4A 3595/4885XDH 4194/4885

“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.