SCHEMBL618379

SCHEMBL618379

COc1cc(-c2nscc2-c2ccc(-c3nnnn3C)cc2)cc2c1OCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPSR1 Q6W5P4 1/20 0.37
USP2 O75604 1/20 0.35
PAX8 Q06710 1/20 0.35
PIP4K2C Q8TBX8 1/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP3A4 P08684 2/20 0.33
LRRK2 Q5S007 2/20 0.33
TP53 P04637 1/20 0.33
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33

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
SCHEMBL1168211 0.84 ALDH1A1 (0.40) ALDH1A1KMT2AHTTKDM4EMEN1
SCHEMBL616257 0.83 TUBB4A (0.41) ALDH1A1KMT2AKDM4EHPGDCYP2C9
SCHEMBL14847360 0.82 ALDH1A1 (0.42) ALDH1A1KMT2AHTTKDM4EMEN1
SCHEMBL615813 0.82 ALDH1A1 (0.42) ALDH1A1KMT2AHTTKDM4EMEN1
SCHEMBL617582 0.81 PTGS2 (0.40) ALDH1A1KMT2AHTTKDM4EMEN1
SCHEMBL617870 0.80 ALDH1A1 (0.41) ALDH1A1KMT2AHTTKDM4EMEN1
SCHEMBL410895 0.80 ALDH1A1 (0.46) ALDH1A1KMT2AHTTKDM4EMEN1
SCHEMBL617865 0.80 ALDH1A1 (0.42) ALDH1A1KMT2AHTTKDM4EMEN1
SCHEMBL1169106 0.80 KMT2A (0.39) ALDH1A1KMT2AHTTKDM4EMEN1
SCHEMBL618096 0.79 ALDH1A1 (0.40) ALDH1A1KMT2AHTTKDM4EMEN1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966172-B1 THIAZOLES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2014-01-08 EP disclosed
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SUN LIJUN (US) 2013-08-08 US disclosed
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SUN LIJUN (US) 2013-08-08 US disclosed
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SUN LIJUN (US) 2013-08-08 US disclosed
US-8399435-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-03-19 US disclosed
US-8399435-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-03-19 US disclosed
US-8399435-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-03-19 US disclosed
US-20120040937-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2012-02-16 US disclosed
US-20120040937-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2012-02-16 US disclosed
US-20120040937-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2012-02-16 US disclosed
US-7572821-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2009-08-11 US disclosed
US-7572821-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2009-08-11 US disclosed
EP-2059250-A2 COMPOUNDS FOR THE TREATMENT OF ANGIOGENESIS Synta Pharmaceuticals Corporation (US) 2009-05-20 EP disclosed
EP-1966172-A1 THIAZOLES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Synta Pharmaceuticals Corporation (US) 2008-09-10 EP disclosed
WO-2008033449-A2 COMPOUNDS FOR THE TREATMENT OF ANGIOGENESIS SYNTA PHARMACEUTICALS CORP. (US) 2008-03-20 WO disclosed
US-20070179159-A1 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. 2007-08-02 US disclosed
US-20070179159-A1 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. 2007-08-02 US disclosed
US-20070179159-A1 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. 2007-08-02 US disclosed
WO-2007061909-A1 THIAZOLES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2007-05-31 WO disclosed
WO-2007061909-A1 THIAZOLES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2007-05-31 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 (3 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-20070179159-A1 Compounds for the treatment of proliferative disorders RB1, MKI67, MAPRE1 ALDH1A1 1872/4885KMT2A 2808/4885HTT 1204/4885
US-20120040937-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 ALDH1A1 1872/4885KMT2A 2808/4885HTT 1204/4885
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 ALDH1A1 1872/4885KMT2A 2808/4885HTT 1204/4885

“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.