SCHEMBL4510193

SCHEMBL4510193

COC(=O)c1ccc(C)c(-n2c(SC)nc(OCc3ccccc3CN)cc2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.40
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
MAPK14 Q16539 1/20 0.37
MAPT P10636 4/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 3/20 0.35
TP53 P04637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
P2RX7 Q99572 1/20 0.33
APLNR P35414 1/20 0.33
LOXL2 Q9Y4K0 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
SCHEMBL4504739 0.90 MAPK14 (0.46) OPRK1ALDH1A1TSHRMAPK14
SCHEMBL4520555 0.88 TP53 (0.44) OPRK1ALDH1A1TSHRMAPK14MAPT
SCHEMBL3521563 0.83 MAPK14 (0.55) MAPK14
SCHEMBL13678571 0.81 KDM5A (0.38) OPRK1ALDH1A1TSHRMAPK14MAPT
SCHEMBL4498211 0.80 MAPK14 (0.45) OPRK1ALDH1A1MAPK14APLNR
SCHEMBL4509648 0.78 MAPK14 (0.51) MAPK14
SCHEMBL2847950 0.77 TSHR (0.56) OPRK1ALDH1A1TSHRMAPTLMNA
SCHEMBL13678572 0.76 MAPK14 (0.43) OPRK1ALDH1A1MAPK14MAPTTP53
SCHEMBL4498433 0.75 MAPK14 (0.47) OPRK1ALDH1A1MAPK14LMNA
SCHEMBL4982152 0.74 MAPK14 (0.51) MAPK14

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-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PFIZER INC. 2009-10-29 US disclosed
US-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PFIZER INC. 2009-10-29 US disclosed
US-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PFIZER INC. 2009-10-29 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 (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-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PDXK, UMPS, CDK2 OPRK1 895/4885ALDH1A1 1197/4885TSHR 1221/4885

“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.