SCHEMBL4490917

SCHEMBL4490917

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

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.31
CECR2 Q9BXF3 1/20 0.31
BRD9 Q9H8M2 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LYN P07948 1/20 0.30
TOP2A P11388 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
FGFR1 P11362 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
SCHEMBL4482238 0.96 LYN (0.32) LYNHCRTR1HCRTR2
SCHEMBL4745295 0.93 KDM4E (0.32) BPTFCECR2BRD9KDM4ELYN
SCHEMBL4490928 0.90 KDM4E (0.32) BPTFCECR2BRD9KDM4ELYN
SCHEMBL4489726 0.89 KDM4E (0.30) KDM4E
SCHEMBL4741763 0.88 KDM4E (0.35) BPTFCECR2BRD9KDM4ELYN
SCHEMBL3993899 0.87 TP53 (0.33)
SCHEMBL4485590 0.87 TP53 (0.33)
SCHEMBL4913222 0.87 PDPK1 (0.32)
SCHEMBL4478591 0.87 HDAC1 (0.33)
SCHEMBL4487540 0.87 FPR1 (0.33) LYN

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 BPTF 1324/4885CECR2 257/4885BRD9 488/4885

“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.