SCHEMBL4489281

SCHEMBL4489281

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.34
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
USP1 O94782 2/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM5B Q9UGL1 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
SCHEMBL4481630 0.92 ACLY (0.31) TSHR
SCHEMBL4492304 0.92 ACLY (0.31) TSHR
SCHEMBL3993899 0.92 TP53 (0.33) SMN1; SMN2
SCHEMBL4485590 0.92 TP53 (0.33) SMN1; SMN2
SCHEMBL4745803 0.91 KCNH2 (0.35) KCNH2CYP2C8CYP2C9USP1LMNA
SCHEMBL4482238 0.85 LYN (0.32)
SCHEMBL4489726 0.85 KDM4E (0.30) SMN1; SMN2
SCHEMBL13788905 0.83 SMN1; SMN2 (0.38) LMNATSHRHTTSMN1; SMN2
SCHEMBL3986451 0.82 JAK2 (0.36) LMNATSHRSMN1; SMN2KDM5B
SCHEMBL4484643 0.81 WEE1 (0.30)

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 4 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-20080194585-A1 Fungicidal Pyrazine Derivatives SHARPE PAULA LOUISE 2008-08-14 US claimed
US-20090186907-A1 Pyrazinones As Cellular Proliferation Inhibitors E.I. DUPONT DE NEMOURS AND COMPANY (US) 2009-07-23 US disclosed
US-20080194585-A1 Fungicidal Pyrazine Derivatives SHARPE PAULA LOUISE 2008-08-14 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 (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-20080194585-A1 Fungicidal Pyrazine Derivatives CBR3, CBR1, NR0B1 KCNH2 366/4885CYP2C8 22/4885CYP2C9 32/4885
US-20090186907-A1 Pyrazinones As Cellular Proliferation Inhibitors MKI67, NR0B1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 KCNH2 1274/4885CYP2C8 170/4885CYP2C9 597/4885

“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.