SCHEMBL4558093

SCHEMBL4558093

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLD2 O14939 5/20 0.35
PLD1 Q13393 5/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
MAP3K7 O43318 3/20 0.34
BRD4 O60885 1/20 0.34
GAA P10253 1/20 0.33
TP53 P04637 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
SCHEMBL5992412 0.92 PLD2 (0.34) PLD2PLD1MEN1KMT2ACD274
SCHEMBL4558520 0.86 PDPK1 (0.39) PLD2PLD1MEN1KMT2AGAA
SCHEMBL4330586 0.86 SLC6A9 (0.33) PLD2PLD1MEN1KMT2ACD274
SCHEMBL4331632 0.85 MAP3K7 (0.31) MAP3K7
SCHEMBL5988704 0.82 PLD2 (0.34) PLD2PLD1MEN1KMT2ACD274
SCHEMBL13783369 0.79 PARP1 (0.35) MAP3K7BRD4
SCHEMBL6447416 0.79 KMT2A (0.36) PLD2PLD1MEN1KMT2AGAA
SCHEMBL5983301 0.78 SLC6A9 (0.33) PLD2PLD1MEN1KMT2ACD274
Hydrochloric Acid SCHEMBL4334320 0.78 AURKA (0.34) BRD4
SCHEMBL5990532 0.77 NPC1 (0.36) MEN1KMT2A

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
EP-1661897-B1 PYRROLOPYRIMIDINONE DERIVATIVE TEIJIN PHARMA LTD (JP) 2013-12-04 EP disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-20060160831-A1 Pyrrolopyrimidinone derivatives TEIJIN PHARMA LIMITED (JP) 2006-07-20 US disclosed
EP-1661897-A1 PYRROLOPYRIMIDINONE DERIVATIVE Teijin Pharma Limited (JP) 2006-05-31 EP 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-20060160831-A1 Pyrrolopyrimidinone derivatives GSK3B, GSK3A, GSKIP PLD2 4348/4885PLD1 3712/4885MEN1 4734/4885

“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.