SCHEMBL8197199

SCHEMBL8197199

CC[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc(-n4cccn4)cc3)cccn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.39
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
FLT3 P36888 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
GAS6 Q14393 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SCN9A Q15858 3/20 0.34
EGLN1 Q9GZT9 2/20 0.34
PIK3CA P42336 1/20 0.34
KLKB1 P03952 4/20 0.33
KLK1 P06870 2/20 0.33
PI4KB Q9UBF8 1/20 0.33
LMNA P02545 1/20 0.33
GUCY1B2 O75343 1/20 0.33
GUCY1A2 P33402 1/20 0.33
GUCY1A1 Q02108 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
SCHEMBL13035329 0.89 KLKB1 (0.39) KDM4EALDH1A1HPGDPIK3CAKLKB1
SCHEMBL13035259 0.89 MT-CO2 (0.36) KDM4EALDH1A1HPGDPIK3CAKLKB1
SCHEMBL13035258 0.88 KDM4E (0.35) KDM4EALDH1A1HPGDPIK3CAKLKB1
SCHEMBL13035247 0.87 PIK3CA (0.34) KDM4EALDH1A1HPGDPIK3CAKLKB1
SCHEMBL13035072 0.87 ACE2 (0.39) FLT3KDM4EALDH1A1HPGDPIK3CA
SCHEMBL13035092 0.87 NPC1 (0.34) KDM4EALDH1A1HPGDPIK3CAKLKB1
SCHEMBL13035038 0.86 HPGD (0.38) KDM4EALDH1A1HPGDPIK3CAKLKB1
SCHEMBL13035032 0.86 PIK3CA (0.46) FLT3TYRO3MERTKGAS6PIK3CA
SCHEMBL13035047 0.86 CCR1 (0.38) HPGD
SCHEMBL13035102 0.86 MAPK8 (0.45) KDM4EALDH1A1HPGDGUCY1B2GUCY1A2

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-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
WO-2008082490-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 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 (1 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-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 TNKS 1323/4885PARP1 1355/4885TNKS2 985/4885

“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.