SCHEMBL413888

SCHEMBL413888

CCc1cc(-c2nn[nH]c2-c2ccc3[nH]ccc3c2)cc(CC)c1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
BRAF P15056 1/20 0.37
CYP17A1 P05093 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
LRRK2 Q5S007 1/20 0.37
METAP2 P50579 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
BRD4 O60885 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
PTGS2 P35354 1/20 0.36
PSMB8 P28062 1/20 0.36
FYN P06241 1/20 0.36
GUSB P08236 1/20 0.36
NISCH Q9Y2I1 1/20 0.35
CHRNB4 P30926 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
SCHEMBL412079 0.78 TNIK (0.36)
SCHEMBL411306 0.78 PRKCZ (0.38) BRAFCYP11B1CYP11B2BRD4
SCHEMBL13078074 0.77 HSD17B1 (0.39) MEN1KMT2ACA12
SCHEMBL409864 0.76 TLR9 (0.39) LRRK2METAP2
SCHEMBL412583 0.76 LRRK2 (0.36) LRRK2
SCHEMBL1168205 0.75 BRD4 (0.41) NPC1BRAFCYP17A1CYP11B1CYP11B2
SCHEMBL615445 0.75 PSMB8 (0.43) NPC1BRAFCYP17A1CYP11B1CYP11B2
SCHEMBL409866 0.75 PSMB5 (0.36)
SCHEMBL13078075 0.75
SCHEMBL13077869 0.75 ESR1 (0.43) CYP17A1CYP11B1CYP11B2MEN1KMT2A

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 24 patents — showing the first 20. 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-9175022-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2015-11-03 US disclosed
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
US-8501790-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-08-06 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-20120022118-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2012-01-26 US disclosed
US-7781462-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2010-08-24 US disclosed
US-7781462-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2010-08-24 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
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
US-20070238699-A1 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. 2007-10-11 US 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 NPC1 650/4885BRAF 79/4885CYP17A1 552/4885
US-20120022118-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 NPC1 650/4885BRAF 79/4885CYP17A1 552/4885
US-20100093670-A1 Compounds for the treatment of angiogenesis FLT4, FLT1, TEK NPC1 2070/4885BRAF 2174/4885CYP17A1 815/4885
US-20130338112-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 NPC1 650/4885BRAF 79/4885CYP17A1 552/4885

“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.