SCHEMBL10189307

SCHEMBL10189307

CCC(C)[C@H](N)C(=O)Nc1cc(-c2cnsc2-c2cc(C)c(C)c(OC)c2)ccc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.42
SUV39H2 Q9H5I1 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
IARS1 P41252 4/20 0.35
TP53 P04637 2/20 0.35
THRB P10828 1/20 0.35
CIT O14578 2/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL10189306 1.00 AAK1 (0.42) AAK1SUV39H2PIK3CDPIK3CAPIK3CB
SCHEMBL10189305 0.91 AAK1 (0.38) AAK1SUV39H2PIK3CDPIK3CAPIK3CB
SCHEMBL10189304 0.91 AAK1 (0.38) AAK1SUV39H2PIK3CDPIK3CAPIK3CB
SCHEMBL10189310 0.91 AAK1 (0.38) AAK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL10189312 0.91 AAK1 (0.38) AAK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL10241271 0.91 AAK1 (0.43) AAK1SUV39H2PIK3CDPIK3CAPIK3CB
SCHEMBL10241708 0.91 AAK1 (0.43) AAK1SUV39H2PIK3CDPIK3CAPIK3CB
Hydrochloric Acid SCHEMBL623340 0.90 AAK1 (0.43) AAK1SUV39H2PIK3CDPIK3CAPIK3CB
SCHEMBL10189296 0.89 PDE4A (0.37) AAK1TP53CITALDH1A1KDM4E
SCHEMBL10189342 0.86 CIT (0.39) AAK1CITALDH1A1KDM4ESMN1; 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 3020/4885SUV39H2 2439/4885PIK3CD 1961/4885
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 AAK1 3020/4885SUV39H2 2439/4885PIK3CD 1961/4885

“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.