SCHEMBL4482238

SCHEMBL4482238

CCC(C)Cn1c(-c2c(F)cc(OCCN(C)C)cc2F)c(Cl)nc(-n2cccn2)c1=O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LYN P07948 2/20 0.32
MAPT P10636 1/20 0.32
CDK2 P24941 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
SRC P12931 1/20 0.30
BTK Q06187 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
SCHEMBL4490917 0.96 BPTF (0.31) LYNHCRTR1HCRTR2
SCHEMBL4745295 0.89 KDM4E (0.32) LYN
SCHEMBL3993899 0.88 TP53 (0.33) MAPT
SCHEMBL4485590 0.88 TP53 (0.33) MAPT
SCHEMBL4489726 0.88 KDM4E (0.30)
SCHEMBL4490928 0.86 KDM4E (0.32) LYN
SCHEMBL4489281 0.85 KCNH2 (0.34)
SCHEMBL4478591 0.84 HDAC1 (0.33)
SCHEMBL4741763 0.84 KDM4E (0.35) LYNADORA2AADORA1SRC
SCHEMBL4484643 0.84 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 1 patent. 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

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 LYN 2841/4885MAPT 4590/4885CDK2 38/4885

“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.