SCHEMBL6168054

SCHEMBL6168054

CCc1cnc(CC)c(N[C@H](CC)CO)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 12/20 0.42
LATS1 O95835 1/20 0.40
LATS2 Q9NRM7 1/20 0.40
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38
FYN P06241 2/20 0.37
NPC1 O15118 2/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL6167603 1.00 CRHR1 (0.42) CRHR1LATS1LATS2KDM4EALDH1A1
SCHEMBL6166421 0.91 CRHR1 (0.49) CRHR1
SCHEMBL6166430 0.81 CRHR1 (0.38) CRHR1
SCHEMBL6345411 0.80 TP53 (0.37) CRHR1LATS1LATS2ALDH1A1MEN1
SCHEMBL6350199 0.80 TP53 (0.37) CRHR1LATS1LATS2ALDH1A1MEN1
SCHEMBL6168593 0.79 CRHR1 (0.46) CRHR1
SCHEMBL6167497 0.74 TLR8 (0.40) CRHR1
SCHEMBL6166903 0.73 CRHR1 (0.46) CRHR1
SCHEMBL6169343 0.72 CRHR1 (0.44) CRHR1LATS1LATS2KDM4EALDH1A1
SCHEMBL6167585 0.72 CRHR1 (0.44) CRHR1LATS1LATS2KDM4EALDH1A1

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 1/4885LATS1 3708/4885LATS2 4026/4885

“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.