SCHEMBL13788945

SCHEMBL13788945

CCn1c(C)c(Cl)nc(-n2cccn2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.38
METAP2 P50579 1/20 0.35
MAT2A P31153 2/20 0.35
NOTUM Q6P988 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
NPBWR1 P48145 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4A O75164 1/20 0.32
KDM4B O94953 1/20 0.32

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
SCHEMBL13788858 0.87 CNR2 (0.40) ADORA2ATDP1KDM4EALDH1A1HPGD
SCHEMBL13788908 0.86 TSHR (0.36) ADORA2AMAT2ANOTUMTDP1HCRTR1
SCHEMBL13788903 0.77 ADORA2A (0.35) ADORA2AMAT2ANOTUMADORA3ADORA2B
SCHEMBL4292669 0.76 SMN1; SMN2 (0.33) ADORA2AMAT2ATDP1NPBWR1ADORA3
SCHEMBL13788905 0.74 SMN1; SMN2 (0.38) METAP2MAT2AEGLN1ALDH1A1LMNA
SCHEMBL3986451 0.70 JAK2 (0.36) ADORA2AMAT2ATDP1NPBWR1ADORA3
SCHEMBL13788904 0.70 MAT2A (0.42) MAT2ANOTUMKDM4EALDH1A1LMNA
SCHEMBL4489281 0.70 KCNH2 (0.34) LMNAKDM5BTSHR
SCHEMBL4745803 0.70 KCNH2 (0.35) ADORA2AMAT2AADORA3ADORA2BADORA1
SCHEMBL4492304 0.69 ACLY (0.31) EGLN1ALDH1A1TSHR

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090186907-A1 Pyrazinones As Cellular Proliferation Inhibitors MKI67, NR0B1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ADORA2A 2088/4885METAP2 4841/4885MAT2A 4760/4885

“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.