SCHEMBL10189174

SCHEMBL10189174

CCc1cc(-c2sncc2-c2ccc(N)cc2)c(O)cc1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.37
DHFR P00374 1/20 0.36
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
PRKCZ Q05513 1/20 0.34
MAOA P21397 1/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 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
SCHEMBL10189171 0.90 PTGS2 (0.38) PTGS2HSP90AA1HSP90AB1MEN1GAA
SCHEMBL10188809 0.88 PTGS2 (0.37) PTGS2HSP90AA1HSP90AB1MEN1GAA
SCHEMBL10189167 0.88 PTGS2 (0.52) PTGS2HSP90AA1HSP90AB1MAPTMEN1
SCHEMBL10188872 0.85 PTGS2 (0.57) PTGS2HSP90AA1HSP90AB1MAPTMEN1
SCHEMBL10189176 0.84 KDM4E (0.38) PTGS2HSP90AA1MAPTMAOAMEN1
SCHEMBL617566 0.84 MAPT (0.51) PTGS2HSP90AA1HSP90AB1MAPTMAPK1
SCHEMBL10188805 0.82 CCNC (0.38) PTGS2HSP90AA1HSP90AB1
SCHEMBL12338741 0.76 MEN1 (0.57) HSP90AA1HSP90AB1MAPTMAPK1ATM
SCHEMBL616208 0.74 MEN1 (0.47) PTGS2HSP90AA1HSP90AB1MAPTMAPK1
SCHEMBL618924 0.73 MEN1 (0.63) PTGS2HSP90AA1HSP90AB1MAPTMAPK1

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 3 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

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-20120040937-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 PTGS2 3488/4885DHFR 122/4885HSP90AA1 289/4885
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 PTGS2 3488/4885DHFR 122/4885HSP90AA1 289/4885

“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.