SCHEMBL7245244

SCHEMBL7245244

CSc1ccc(-n2c(-c3ccc(F)cc3)nc(SC)c(C(N)=O)c2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 4/20 0.40
MAPK12 P53778 4/20 0.40
MAPK11 Q15759 4/20 0.40
MAPK14 Q16539 4/20 0.40
GCGR P47871 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GRIA1 P42261 1/20 0.36
CACNG8 Q8WXS5 1/20 0.36
CACNG2 Q9Y698 1/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 2/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ESR1 P03372 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL14193777 0.85 MAPK13 (0.38) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL4857041 0.85 GABRA2 (0.47) L3MBTL1NPSR1HTTHPGDGAA
SCHEMBL4862562 0.85 GABRA2 (0.47) L3MBTL1NPSR1HTTHPGDGAA
SCHEMBL7250847 0.82 ALDH1A1 (0.46) L3MBTL1NPSR1RXFP1GRIA1CACNG8
SCHEMBL4861276 0.81 ALDH1A1 (0.46) NPSR1RXFP1HTTGAAESR1
SCHEMBL6141870 0.79 HTT (0.49) NPSR1HTTHPGDGAAKDM4E
SCHEMBL5821480 0.79 ALDH1A1 (0.41) NPSR1RXFP1HTTHPGDGAA
SCHEMBL4857021 0.79 KDM4E (0.48) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL4861613 0.79 KDM4E (0.48) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL5817617 0.78 MAPK14 (0.36) MAPK13MAPK12MAPK11MAPK14GCGR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030225075-A1 Novel pyrimidone derivatives ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2003-12-04 US claimed
US-20030225075-A1 Novel pyrimidone derivatives ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2003-12-04 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-20030225075-A1 Novel pyrimidone derivatives TPMT, TYMP, TYMS MAPK13 2867/4885MAPK12 2925/4885MAPK11 2640/4885

“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.