SCHEMBL6168043

SCHEMBL6168043

CCOC(=O)CC(C)Nc1nc(CC)c(Br)nc1CC

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
TRPA1 O75762 1/20 0.31
LMNA P02545 1/20 0.31
CRHR1 P34998 3/20 0.31
CYP2D6 P10635 1/20 0.30
TSHR P16473 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
SCHEMBL6167318 0.77 CYP1A2 (0.33) GAAALDH1A1MGAMSIMGAM2
SCHEMBL6345962 0.77 CRHR1 (0.40) ALDH1A1TDP1CRHR1TSHR
SCHEMBL6167057 0.77 CRHR1 (0.40) ALDH1A1TDP1CRHR1TSHR
SCHEMBL6165648 0.74 TLR8 (0.36) ALDH1A1CRHR1CYP2D6
SCHEMBL5409013 0.69 CRHR1 (0.53) CRHR1
SCHEMBL26583577 0.68 RAB9A (0.47) GAAALDH1A1KDM4ETDP1LMNA
SCHEMBL14338528 0.65 GAA (0.48) GAAALDH1A1MGAMSIMGAM2
SCHEMBL7835239 0.64 GAA (0.52) GAAALDH1A1MGAMSIMGAM2
SCHEMBL4828358 0.62 ALDH1A1 (0.51) GAAALDH1A1MGAMSIMGAM2
SCHEMBL11315276 0.62 GAA (0.49) GAAALDH1A1KDM4ELMNATSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6964965-B2 Substituted pyrazine derivatives PHARMACIA & UPJOHN (US) 2005-11-15 US disclosed
EP-1499599-A1 SUBSTITUTED PYRAZINE DERIVATIVES Pharmacia & Upjohn Company LLC (US) 2005-01-26 EP disclosed
US-20040053941-A1 Substituted pyrazine derivatives PHARMACIA & UPJOHN COMPANY 2004-03-18 US disclosed
WO-2003091225-A1 SUBSTITUTED PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-11-06 WO 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-20040053941-A1 Substituted pyrazine derivatives CRHR1, CRHR2, CRH GAA 4480/4885ALDH1A1 749/4885MGAM 4828/4885

“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.