SCHEMBL13788903

SCHEMBL13788903

Cc1c(Cl)nc(-n2cccn2)c(=O)n1NC(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.35
MAT2A P31153 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NOTUM Q6P988 1/20 0.32
POLB P06746 1/20 0.32
KDM5B Q9UGL1 2/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
EGLN1 Q9GZT9 2/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL13788945 0.77 ADORA2A (0.38) ADORA2AMAT2AKDM4EALDH1A1NOTUM
SCHEMBL13788908 0.75 TSHR (0.36) ADORA2AMAT2AKDM4EALDH1A1NOTUM
SCHEMBL13788858 0.73 CNR2 (0.40) ADORA2AKDM4EALDH1A1
SCHEMBL4292669 0.68 SMN1; SMN2 (0.33) ADORA2AMAT2AALDH1A1ADORA3ADORA1
SCHEMBL13788904 0.68 MAT2A (0.42) MAT2AKDM4EALDH1A1NOTUMMAPT
SCHEMBL13788905 0.64 SMN1; SMN2 (0.38) MAT2AALDH1A1POLBEGLN1MAPT
SCHEMBL3986451 0.63 JAK2 (0.36) ADORA2AMAT2AALDH1A1POLBKDM5B
SCHEMBL4745803 0.62 KCNH2 (0.35) ADORA2AMAT2AALDH1A1KDM5BADORA3
SCHEMBL11147896 0.61 KDM4E (0.34) ADORA2AKDM4EALDH1A1NOTUMPOLB
SCHEMBL4487964 0.60 JAK2 (0.40) ADORA2AMAT2ANOTUMKDM5BADORA3

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 ADORA2A 2322/4885MAT2A 4013/4885KDM4E 3888/4885
US-20090186907-A1 Pyrazinones As Cellular Proliferation Inhibitors MKI67, NR0B1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ADORA2A 2088/4885MAT2A 4760/4885KDM4E 3719/4885

“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.