SCHEMBL4487964

SCHEMBL4487964

Nn1c(-c2c(F)cccc2F)c(Cl)nc(-n2cccn2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.40
TYK2 P29597 1/20 0.40
ADORA2A P29274 4/20 0.36
MAT2A P31153 2/20 0.35
ACLY P53396 1/20 0.34
MAPK1 P28482 2/20 0.34
NPC1 O15118 1/20 0.34
ADORA2B P29275 2/20 0.33
ADORA1 P30542 2/20 0.33
NOTUM Q6P988 1/20 0.33
PDE4B Q07343 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
LMNA P02545 2/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
KDM4A O75164 1/20 0.31

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
SCHEMBL4882519 0.83 MAT2A (0.45) JAK2TYK2ADORA2AMAT2AACLY
SCHEMBL3986451 0.80 JAK2 (0.36) JAK2TYK2ADORA2AMAT2AACLY
SCHEMBL3989631 0.80 JAK2 (0.39) JAK2TYK2ADORA2AMAT2AACLY
SCHEMBL3989442 0.77 NPBWR1 (0.41) JAK2TYK2MAPK1MAPTADORA3
SCHEMBL4882430 0.74 MAT2A (0.46) JAK2TYK2ADORA2AMAT2AMAPK1
SCHEMBL4877684 0.74 MAT2A (0.39) JAK2TYK2MAT2AMAPK1MAPT
SCHEMBL4501812 0.74 TYK2 (0.43) JAK2TYK2ADORA2AMAT2AACLY
SCHEMBL4745803 0.70 KCNH2 (0.35) ADORA2AMAT2AMAPK1ADORA2BADORA1
SCHEMBL3992902 0.69 KCNH2 (0.31) MAT2AMAPK1MAPTHTTNPSR1
SCHEMBL4501834 0.69 ALDH1A1 (0.38) JAK2TYK2ADORA2AADORA2BADORA1

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 JAK2 2128/4885TYK2 3405/4885ADORA2A 2088/4885

“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.