SCHEMBL3992902

SCHEMBL3992902

O=c1c(-n2cccn2)nc(Cl)c(-c2c(F)cc(F)cc2F)n1CC(F)(F)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.31
CYP2C8 P10632 1/20 0.30
CYP2C9 P11712 1/20 0.30
MAT2A P31153 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4745803 0.82 KCNH2 (0.35) KCNH2CYP2C8CYP2C9MAT2AMAPT
SCHEMBL3923721 0.81 FADS1 (0.31)
SCHEMBL4489281 0.80 KCNH2 (0.34) KCNH2CYP2C8CYP2C9HTTSMN1; SMN2
SCHEMBL4877684 0.74 MAT2A (0.39) KCNH2MAT2AMAPTMAPK1HTT
SCHEMBL3986451 0.73 JAK2 (0.36) MAT2ANPSR1L3MBTL1SMN1; SMN2
SCHEMBL4492304 0.73 ACLY (0.31)
SCHEMBL4481630 0.73 ACLY (0.31)
SCHEMBL4485590 0.72 TP53 (0.33) MAPTSMN1; SMN2
SCHEMBL3993899 0.72 TP53 (0.33) MAPTSMN1; SMN2
SCHEMBL3989442 0.70 NPBWR1 (0.41) CYP2C9MAPTMAPK1SMN1; SMN2

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 3 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 disclosed
EP-2034993-A2 PYRAZINONES AS CELLULAR PROLIFERATION INHIBITORS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-03-18 EP disclosed
WO-2007149448-A2 PYRAZINONES AS CELLULAR PROLIFERATION INHIBITORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-12-27 WO 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 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.