SCHEMBL3303769

SCHEMBL3303769

COc1ccc(-c2csnc2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)C(N)CO

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CIT O14578 1/20 0.39
AAK1 Q2M2I8 6/20 0.39
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2B P29275 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
PRNP P04156 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CASR P41180 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
Hydrochloric Acid SCHEMBL615453 0.99 CIT (0.39) CITAAK1RXFP1MEN1KMT2A
SCHEMBL615527 0.96 AAK1 (0.39) CITAAK1RXFP1MEN1KMT2A
SCHEMBL616278 0.93 HDAC2 (0.40) CITAAK1RXFP1MEN1KMT2A
SCHEMBL10241284 0.91 CIT (0.40) CITAAK1RXFP1MEN1KMT2A
SCHEMBL10242411 0.91 CIT (0.40) CITAAK1RXFP1MEN1KMT2A
SCHEMBL10241731 0.91 CIT (0.40) CITAAK1RXFP1MEN1KMT2A
SCHEMBL10240758 0.91 CIT (0.40) CITAAK1RXFP1MEN1KMT2A
SCHEMBL3302969 0.91 CIT (0.49) CITAAK1
Hydrochloric Acid SCHEMBL618710 0.90 CIT (0.49) CITAAK1
Hydrochloric Acid SCHEMBL622593 0.90 CIT (0.39) CITAAK1RXFP1MEN1KMT2A

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-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-20120040937-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2012-02-16 US disclosed
US-8058297-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2011-11-15 US disclosed
US-8058297-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2011-11-15 US disclosed
US-20100093670-A1 Compounds for the treatment of angiogenesis SYNTA PHARMACEUTICALS CORP. 2010-04-15 US disclosed
US-20090270353-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SUN LIJUN 2009-10-29 US disclosed
US-20090270353-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SUN LIJUN 2009-10-29 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20100093670-A1 Compounds for the treatment of angiogenesis FLT4, FLT1, TEK CIT 787/4885AAK1 2001/4885RXFP1 265/4885
US-20070179159-A1 Compounds for the treatment of proliferative disorders RB1, MKI67, MAPRE1 CIT 337/4885AAK1 3020/4885RXFP1 847/4885
US-20120040937-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 CIT 337/4885AAK1 3020/4885RXFP1 847/4885
US-20090270353-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 CIT 337/4885AAK1 3020/4885RXFP1 847/4885
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 CIT 337/4885AAK1 3020/4885RXFP1 847/4885

“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.