SCHEMBL13788904

SCHEMBL13788904

Cc1c(Cl)nc(-n2cccn2)c(=O)n1-c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 3/20 0.42
NOTUM Q6P988 1/20 0.40
GRM5 P41594 1/20 0.38
ALDH1A1 P00352 7/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A2 O94788 4/20 0.37
ALDH1A3 P47895 4/20 0.37
HPD P32754 2/20 0.37
KEAP1 Q14145 1/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPK10 P53779 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 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
SCHEMBL4877684 0.83 MAT2A (0.39) MAT2AGRM5SMN1; SMN2LMNAMAPT
SCHEMBL4261005 0.76 HRH3 (0.35) MAT2AALDH1A1ALDH1A2ALDH1A3HTT
SCHEMBL4497287 0.76 HTR2A (0.36) MAT2AALDH1A1SMN1; SMN2ALDH1A2ALDH1A3
SCHEMBL4882519 0.74 MAT2A (0.45) MAT2ANOTUMALDH1A1LMNANPC1
SCHEMBL4882430 0.72 MAT2A (0.46) MAT2ANOTUMALDH1A1SMN1; SMN2LMNA
SCHEMBL255919 0.71 KEAP1 (0.61) NOTUMGRM5ALDH1A1SMN1; SMN2LMNA
SCHEMBL13788945 0.70 ADORA2A (0.38) MAT2ANOTUMALDH1A1LMNAKDM4E
SCHEMBL13788858 0.67 CNR2 (0.40) ALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL4487964 0.66 JAK2 (0.40) MAT2ANOTUMLMNANPC1MAPT
SCHEMBL13788908 0.66 TSHR (0.36) MAT2ANOTUMALDH1A1SMN1; SMN2LMNA

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 MAT2A 4013/4885NOTUM 1116/4885GRM5 93/4885
US-20090186907-A1 Pyrazinones As Cellular Proliferation Inhibitors MKI67, NR0B1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MAT2A 4760/4885NOTUM 3233/4885GRM5 1061/4885

“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.