SCHEMBL6167057

SCHEMBL6167057

CCc1nc(N[C@@H](C)CC)c(CC)nc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 14/20 0.40
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CYP3A4 P08684 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GLP1R P43220 1/20 0.33
LATS1 O95835 3/20 0.32
LATS2 Q9NRM7 3/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 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
SCHEMBL6345962 1.00 CRHR1 (0.40) CRHR1ALDH1A1TP53HSP90AA1CYP3A4
SCHEMBL6165648 0.86 TLR8 (0.36) CRHR1ALDH1A1
SCHEMBL5409013 0.84 CRHR1 (0.53) CRHR1
SCHEMBL6169343 0.78 CRHR1 (0.44) CRHR1ALDH1A1LATS1LATS2MEN1
SCHEMBL6167585 0.78 CRHR1 (0.44) CRHR1ALDH1A1LATS1LATS2MEN1
SCHEMBL6168020 0.77 CRHR1 (0.40) CRHR1
SCHEMBL6168043 0.77 GAA (0.33) CRHR1ALDH1A1TSHRTDP1
SCHEMBL6167033 0.76 CRHR1 (0.46) CRHR1
SCHEMBL6345857 0.76 CRHR1 (0.46) CRHR1
SCHEMBL6168000 0.75 CRHR1 (0.51) CRHR1

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 CRHR1 1/4885ALDH1A1 749/4885TP53 4754/4885

“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.