SCHEMBL4484784

SCHEMBL4484784

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GNRHR P30968 1/20 0.35
LMNA P02545 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
POLB P06746 1/20 0.35
MAPK14 Q16539 3/20 0.35
THRB P10828 1/20 0.34
ADORA2B P29275 1/20 0.33
KDM4E B2RXH2 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA1 P30542 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL3986121 0.88 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1TDP1TSHRHSD17B10
SCHEMBL5319644 0.87 TDP1 (0.36) SMN1; SMN2ALDH1A1TDP1TSHRHSD17B10
SCHEMBL3913556 0.82 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1TDP1TSHRHSD17B10
SCHEMBL3985349 0.80 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1TDP1TSHRHSD17B10
SCHEMBL4493753 0.79 CASR (0.38) SMN1; SMN2ALDH1A1TDP1TSHRHSD17B10
SCHEMBL3986025 0.78 HCRTR1 (0.37) SMN1; SMN2ALDH1A1GNRHRNPSR1POLB
SCHEMBL4483063 0.77 SYK (0.36) SMN1; SMN2ALDH1A1TDP1TSHRHSD17B10
SCHEMBL4418581 0.76 ADORA2B (0.32) GNRHRMAPK14ADORA2B
SCHEMBL3991579 0.75 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1TDP1TSHRHSD17B10
SCHEMBL4877540 0.71 TSHR (0.35) SMN1; SMN2ALDH1A1TSHRGNRHRLMNA

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 4 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
EP-1848711-A1 FUNGICIDAL PYRAZINE DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2007-10-31 EP disclosed
WO-2006089060-A1 FUNGICIDAL PYRAZINE DERIVATIVES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-08-24 WO 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 SMN1; SMN2 3995/4885ALDH1A1 2652/4885TDP1 3025/4885
US-20090186907-A1 Pyrazinones As Cellular Proliferation Inhibitors MKI67, NR0B1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 SMN1; SMN2 3158/4885ALDH1A1 1820/4885TDP1 4223/4885

“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.