SCHEMBL4485240

SCHEMBL4485240

CC(C)Cn1c(-c2c(F)cccc2F)cnc(-n2cccn2)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.35
TYK2 P29597 1/20 0.35
GNRHR P30968 2/20 0.35
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TRPA1 O75762 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EGLN1 Q9GZT9 2/20 0.32
KDM5B Q9UGL1 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
USP1 O94782 2/20 0.32

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
SCHEMBL4501834 0.79 ALDH1A1 (0.38) JAK2TYK2GNRHRADORA2AADORA2B
SCHEMBL3989599 0.78 JAK2 (0.39) JAK2TYK2GNRHRADORA2AADORA2B
SCHEMBL3986451 0.78 JAK2 (0.36) JAK2TYK2GNRHRADORA2AADORA2B
SCHEMBL4745803 0.69 KCNH2 (0.35) ADORA2AADORA2BADORA1SMN1; SMN2ALDH1A1
SCHEMBL10132131 0.67 MET (0.34) SMN1; SMN2ALDH1A1NPSR1L3MBTL1EGLN1
SCHEMBL3986727 0.65 USP1 (0.38) SMN1; SMN2ALDH1A1NPSR1L3MBTL1KDM5B
SCHEMBL4292669 0.64 SMN1; SMN2 (0.33) ADORA2AADORA1SMN1; SMN2ALDH1A1TSHR
SCHEMBL3989442 0.63 NPBWR1 (0.41) JAK2TYK2SMN1; SMN2ALDH1A1TSHR
SCHEMBL13822152 0.63 MAPT (0.37) ADORA2AADORA2BADORA1ALDH1A1NPSR1
SCHEMBL12680215 0.62 MET (0.35) ADORA2AADORA2BADORA1ALDH1A1NPSR1

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 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 JAK2 3907/4885TYK2 2617/4885GNRHR 598/4885
US-20090186907-A1 Pyrazinones As Cellular Proliferation Inhibitors MKI67, NR0B1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 JAK2 2128/4885TYK2 3405/4885GNRHR 390/4885

“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.