SCHEMBL4861654

SCHEMBL4861654

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.42
PTGS1 P23219 1/20 0.42
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 6/20 0.41
NPSR1 Q6W5P4 4/20 0.41
RXFP1 Q9HBX9 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 1/20 0.35
ADORA1 P30542 1/20 0.35
KDM5A P29375 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 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
SCHEMBL4858942 0.91 KDM4E (0.50) KDM4EALDH1A1NPSR1RXFP1L3MBTL1
SCHEMBL4861613 0.89 KDM4E (0.48) KDM4EALDH1A1NPSR1RXFP1HPGD
SCHEMBL4857021 0.89 KDM4E (0.48) KDM4EALDH1A1NPSR1RXFP1HPGD
SCHEMBL4855936 0.89 ALDH1A1 (0.48) KDM4EALDH1A1NPSR1RXFP1HPGD
SCHEMBL2951048 0.89 ALDH1A1 (0.48) KDM4EALDH1A1NPSR1RXFP1HPGD
SCHEMBL14223879 0.88 PTGS2 (0.39) PTGS2PTGS1KDM4EALDH1A1NPSR1
SCHEMBL4855957 0.87 KDM4E (0.47) PTGS2KDM4EALDH1A1NPSR1RXFP1
SCHEMBL4854626 0.87 KDM4E (0.47) PTGS2KDM4EALDH1A1NPSR1RXFP1
SCHEMBL4858580 0.87 RXFP1 (0.50) KDM4EALDH1A1NPSR1RXFP1TDP1
SCHEMBL4853398 0.86 KDM4E (0.43) KDM4EALDH1A1NPSR1RXFP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US claimed
US-20040259891-A1 Novel pyrimidon derivatives ORCHID CHEMICAL & PHARMACEUTICALS LIMITED (IN) 2004-12-23 US claimed
US-20030225075-A1 Novel pyrimidone derivatives ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2003-12-04 US claimed
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
US-20040259891-A1 Novel pyrimidon derivatives ORCHID CHEMICAL & PHARMACEUTICALS LIMITED (IN) 2004-12-23 US disclosed
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 (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-20030225075-A1 Novel pyrimidone derivatives TPMT, TYMP, TYMS PTGS2 1692/4885PTGS1 1288/4885KDM4E 4265/4885
US-20040259891-A1 Novel pyrimidon derivatives TYMS, TPMT, TYMP PTGS2 1957/4885PTGS1 1116/4885KDM4E 4161/4885

“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.