SCHEMBL13788907

SCHEMBL13788907

CCC(C)Cn1c(-c2ccccc2)c(Cl)nc(-c2ccccn2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
F2 P00734 5/20 0.38
F7 P08709 5/20 0.38
F3 P13726 5/20 0.38
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
METAP2 P50579 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA1 P30542 2/20 0.35
ADORA2A P29274 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35

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
SCHEMBL13788909 0.87 HTT (0.41) TSHRSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL4493753 0.76 CASR (0.38) TSHRSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL27725299 0.65 CYP2A6 (0.57) SMN1; SMN2LMNAHTTALDH1A1TP53
SCHEMBL928111 0.63 PDE4A (0.52) TSHRSMN1; SMN2LMNAALDH1A1TP53
SCHEMBL22863463 0.63 TLR7 (0.45) TSHRSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL6130736 0.62 CYP2A6 (0.63) SMN1; SMN2LMNAHTTALDH1A1TP53
SCHEMBL13749192 0.62 CYP1A2 (0.50) LMNAMETAP1
SCHEMBL13003905 0.62 CYP1A2 (0.50) LMNAMETAP1
SCHEMBL30719914 0.62 KDM4E (0.65) SMN1; SMN2LMNAHTTALDH1A1TP53
SCHEMBL16862718 0.62 KDM4E (0.50) TSHRSMN1; SMN2LMNAHTTALDH1A1

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 TSHR 795/4885SMN1; SMN2 3995/4885LMNA 4221/4885
US-20090186907-A1 Pyrazinones As Cellular Proliferation Inhibitors MKI67, NR0B1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TSHR 150/4885SMN1; SMN2 3158/4885LMNA 2584/4885

“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.