SCHEMBL5983301

SCHEMBL5983301

O=C(NCCn1c(-c2sccc2Cl)c(NC(=O)C(F)(F)F)c2nc[nH]c(=S)c21)c1ccc(F)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.33
NAMPT P43490 3/20 0.32
PLD2 O14939 6/20 0.32
PLD1 Q13393 6/20 0.32
CD274 Q9NZQ7 1/20 0.31
DRD2 P14416 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR1A P08908 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL4330586 0.92 SLC6A9 (0.33) SLC6A9PLD2PLD1CD274DRD2
SCHEMBL6447416 0.90 KMT2A (0.36) SLC6A9NAMPTPLD2PLD1MEN1
SCHEMBL5991907 0.88 EPHX2 (0.37) SLC6A9MEN1KMT2A
SCHEMBL5992412 0.86 PLD2 (0.34) NAMPTPLD2PLD1CD274DRD2
SCHEMBL5988704 0.86 PLD2 (0.34) NAMPTPLD2PLD1CD274MEN1
SCHEMBL5990532 0.85 NPC1 (0.36) SLC6A9MEN1KMT2A
SCHEMBL4558520 0.82 PDPK1 (0.39) SLC6A9PLD2PLD1MEN1KMT2A
SCHEMBL3938534 0.78 KDM4E (0.31) MEN1KMT2A
SCHEMBL4558093 0.78 PLD2 (0.35) PLD2PLD1CD274MEN1KMT2A
SCHEMBL4331597 0.77 L3MBTL1 (0.38) DRD2MEN1KMT2A

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
EP-1661896-A1 PYRROLOPYRIMIDINETHIONE DERIVATIVE Teijin Pharma Limited (JP) 2006-05-31 EP disclosed
US-20050153992-A1 Pyrrolopyrimidine thion derivatives TEIJIN PHARMA LIMITED (JP) 2005-07-14 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-20050153992-A1 Pyrrolopyrimidine thion derivatives GSK3B, GSK3A, GSKIP SLC6A9 3739/4885NAMPT 197/4885PLD2 4392/4885

“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.