SCHEMBL4493753

SCHEMBL4493753

CC(C)Cn1c(-c2c(F)cccc2F)c(Cl)nc(-c2ccccn2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.38
NR1I2 O75469 1/20 0.38
MAPK14 Q16539 3/20 0.37
ADORA1 P30542 2/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 1/20 0.35
PPP1CA P62136 1/20 0.35
GNRHR P30968 3/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
POLB P06746 1/20 0.34

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 0.85 SMN1; SMN2 (0.39) MAPK14ADORA2BSMN1; SMN2ALDH1A1TDP1
SCHEMBL4483063 0.84 SYK (0.36) MAPK14ADORA1ADORA2AADORA2BSMN1; SMN2
SCHEMBL4484784 0.79 SMN1; SMN2 (0.37) MAPK14ADORA1ADORA2BSMN1; SMN2ALDH1A1
SCHEMBL3985349 0.77 ALDH1A1 (0.34) MAPK14SMN1; SMN2ALDH1A1TDP1L3MBTL1
SCHEMBL3913556 0.76 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1TDP1L3MBTL1GNRHR
SCHEMBL13788907 0.76 TSHR (0.39) ADORA1ADORA2ASMN1; SMN2ALDH1A1HTT
SCHEMBL4418581 0.73 ADORA2B (0.32) MAPK14ADORA2BGNRHR
SCHEMBL13788909 0.71 HTT (0.41) ADORA1ADORA2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL3991579 0.70 SMN1; SMN2 (0.39) MAPK14ADORA2BSMN1; SMN2ALDH1A1TDP1
SCHEMBL4877540 0.67 TSHR (0.35) ADORA2BSMN1; SMN2ALDH1A1HTTGNRHR

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 CASR 2969/4885NR1I2 161/4885MAPK14 2889/4885
US-20090186907-A1 Pyrazinones As Cellular Proliferation Inhibitors MKI67, NR0B1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CASR 1675/4885NR1I2 148/4885MAPK14 1574/4885

“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.