SCHEMBL4485590

SCHEMBL4485590

CC[C@H](C)Cn1c(-c2c(F)cc(OC)cc2F)c(Cl)nc(-n2cccn2)c1=O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FPR2 P25090 6/20 0.33
FPR1 P21462 5/20 0.33
NPBWR1 P48145 2/20 0.32
TRAP1 Q12931 2/20 0.32
HSP90B1 P14625 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
MDM2 Q00987 1/20 0.31
KAT6A Q92794 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL3993899 1.00 TP53 (0.33) TP53POLBMAPTSMN1; SMN2FPR2
SCHEMBL4489281 0.92 KCNH2 (0.34) SMN1; SMN2
SCHEMBL4492304 0.90 ACLY (0.31)
SCHEMBL4481630 0.90 ACLY (0.31)
SCHEMBL4482238 0.88 LYN (0.32) MAPT
SCHEMBL4489726 0.87 KDM4E (0.30) SMN1; SMN2
SCHEMBL4486345 0.84 TRAP1 (0.37) TP53POLBMAPTSMN1; SMN2FPR2
SCHEMBL3986813 0.84 TRAP1 (0.37) TP53POLBMAPTSMN1; SMN2FPR2
SCHEMBL4484643 0.84 WEE1 (0.30)
SCHEMBL4745803 0.82 KCNH2 (0.35) MAPTSMN1; SMN2ADORA3MEN1KMT2A

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-20090186907-A1 Pyrazinones As Cellular Proliferation Inhibitors E.I. DUPONT DE NEMOURS AND COMPANY (US) 2009-07-23 US claimed
US-20090186907-A1 Pyrazinones As Cellular Proliferation Inhibitors E.I. DUPONT DE NEMOURS AND COMPANY (US) 2009-07-23 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-20090186907-A1 Pyrazinones As Cellular Proliferation Inhibitors MKI67, NR0B1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TP53 84/4885POLB 2242/4885MAPT 4590/4885

“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.