SCHEMBL4483063

SCHEMBL4483063

CC(C)Cn1c(-c2c(F)cccc2F)c(Cl)nc(-c2cn(C)cn2)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.36
MAPK14 Q16539 3/20 0.35
KAT8 Q9H7Z6 2/20 0.35
PDE1A P54750 3/20 0.33
PDE1B Q01064 3/20 0.33
PDE1C Q14123 3/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
PDE2A O00408 2/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL4493753 0.84 CASR (0.38) MAPK14ALDH1A1SMN1; SMN2HSD17B10LMNA
SCHEMBL3986025 0.82 HCRTR1 (0.37) MAPK14ALDH1A1SMN1; SMN2POLBNPSR1
SCHEMBL3986121 0.82 SMN1; SMN2 (0.39) MAPK14ALDH1A1SMN1; SMN2HSD17B10LMNA
SCHEMBL4484784 0.77 SMN1; SMN2 (0.37) MAPK14ALDH1A1SMN1; SMN2HSD17B10LMNA
SCHEMBL3985349 0.74 ALDH1A1 (0.34) MAPK14ALDH1A1SMN1; SMN2HSD17B10LMNA
SCHEMBL3913556 0.74 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HSD17B10LMNAPOLB
SCHEMBL3986451 0.71 JAK2 (0.36) MAPK14ALDH1A1SMN1; SMN2HSD17B10LMNA
SCHEMBL4418581 0.70 ADORA2B (0.32) MAPK14ADORA2B
SCHEMBL3991579 0.68 SMN1; SMN2 (0.39) MAPK14ALDH1A1SMN1; SMN2HSD17B10LMNA
SCHEMBL4489837 0.66 MAPT (0.33) SMN1; SMN2POLBKDM4EUSP2TDP1

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 SYK 3130/4885MAPK14 2889/4885KAT8 494/4885
US-20090186907-A1 Pyrazinones As Cellular Proliferation Inhibitors MKI67, NR0B1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 SYK 4160/4885MAPK14 1574/4885KAT8 93/4885

“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.