SCHEMBL10189304

SCHEMBL10189304

COc1ccc(-c2cnsc2-c2cc(C)c(C)c(OC)c2)cc1NC(=O)[C@H](N)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.38
PIK3CD O00329 4/20 0.35
PIK3CA P42336 4/20 0.35
PIK3CB P42338 4/20 0.35
PIK3CG P48736 4/20 0.35
PIK3C2A O00443 1/20 0.35
PIK3C2B O00750 1/20 0.35
PI4KA P42356 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
CIT O14578 1/20 0.35
PTGS2 P35354 1/20 0.34
LMNA P02545 4/20 0.34
IDO1 P14902 2/20 0.34
MAPT P10636 4/20 0.33
SUV39H2 Q9H5I1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL10189305 1.00 AAK1 (0.38) AAK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL10189312 0.94 AAK1 (0.38) AAK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL10189310 0.94 AAK1 (0.38) AAK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL10189296 0.93 PDE4A (0.37) AAK1CITPTGS2LMNAIDO1
SCHEMBL10189306 0.91 AAK1 (0.42) AAK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL10189307 0.91 AAK1 (0.42) AAK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL10240310 0.90 LMNA (0.41) AAK1CITPTGS2LMNAMAPT
SCHEMBL10240635 0.90 LMNA (0.41) AAK1CITPTGS2LMNAMAPT
Hydrochloric Acid SCHEMBL625513 0.89 LMNA (0.41) AAK1CITPTGS2LMNAMAPT
SCHEMBL10189337 0.88 CIT (0.39) AAK1CITPTGS2MAPTSMN1; SMN2

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 AAK1 3020/4885PIK3CD 1961/4885PIK3CA 808/4885
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 AAK1 3020/4885PIK3CD 1961/4885PIK3CA 808/4885

“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.