SCHEMBL13788858

SCHEMBL13788858

CCCCn1c(C)c(Cl)nc(-n2cccn2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.40
CNR1 P21554 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.35
ADORA2A P29274 1/20 0.35
PKM P14618 1/20 0.34
GAA P10253 1/20 0.34

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 0.87 ADORA2A (0.38) TDP1CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL13788908 0.81 TSHR (0.36) TDP1RECQLALDH1A1KDM4ESMN1; SMN2
SCHEMBL21248414 0.75 CYP1A2 (0.45) CNR2TDP1L3MBTL1CYP1A2CYP2C19
SCHEMBL4292669 0.72 SMN1; SMN2 (0.33) TDP1L3MBTL1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL21248400 0.72 CYP1A2 (0.40) CNR2TDP1L3MBTL1CYP1A2CYP2C19
SCHEMBL13788905 0.70 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2TSHR
SCHEMBL3986451 0.67 JAK2 (0.36) TDP1L3MBTL1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL13788904 0.67 MAT2A (0.42) ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL18397616 0.67 ADORA2A (0.36) ALDH1A1KDM4EADORA2A
SCHEMBL4489281 0.66 KCNH2 (0.34) SMN1; SMN2TSHR

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 CNR2 992/4885CNR1 400/4885TDP1 3025/4885
US-20090186907-A1 Pyrazinones As Cellular Proliferation Inhibitors MKI67, NR0B1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CNR2 333/4885CNR1 107/4885TDP1 4223/4885

“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.