SCHEMBL13788909

SCHEMBL13788909

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 4/20 0.38
MAPT P10636 4/20 0.38
NPC1 O15118 3/20 0.38
RECQL P46063 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADORA1 P30542 3/20 0.37
ADORA2A P29274 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TRPM8 Q7Z2W7 2/20 0.37
POLB P06746 2/20 0.36
APAF1 O14727 1/20 0.36
KDM4A O75164 1/20 0.36
TDP2 O95551 1/20 0.36

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
SCHEMBL13788907 0.87 TSHR (0.39) HTTTSHRLMNASMN1; SMN2MAPT
SCHEMBL4493753 0.71 CASR (0.38) HTTTSHRLMNASMN1; SMN2NPC1
SCHEMBL16200049 0.62 ADORA2A (0.49) LMNASMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL13749192 0.62 CYP1A2 (0.50) LMNAKDM4EPOLBPPARGBLM
SCHEMBL13003905 0.62 CYP1A2 (0.50) LMNAKDM4EPOLBPPARGBLM
SCHEMBL28789289 0.61 KDM4E (0.50) HTTLMNASMN1; SMN2KDM4ENPC1
SCHEMBL13471428 0.61 TRPM8 (0.60) HTTLMNASMN1; SMN2KDM4EMAPT
SCHEMBL2799693 0.61 KDM4E (0.52) HTTLMNASMN1; SMN2KDM4EMAPT
SCHEMBL24926780 0.60 KDM4E (0.42) HTTTSHRLMNASMN1; SMN2KDM4E
SCHEMBL19039496 0.60 TSHR (0.46) HTTTSHRLMNASMN1; SMN2KDM4E

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 HTT 4220/4885TSHR 795/4885LMNA 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 HTT 3751/4885TSHR 150/4885LMNA 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.