SCHEMBL6344899

SCHEMBL6344899

CCc1cnc(CC)c(N[C@H](C)c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.49
SOS1 Q07889 2/20 0.44
KRAS P01116 1/20 0.44
GALR3 O60755 1/20 0.43
NR2F2 P24468 1/20 0.43
HTT P42858 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.40
CCNE2 O96020 3/20 0.40
CCNE1 P24864 3/20 0.40
CDK2 P24941 3/20 0.40
CDK4 P11802 2/20 0.40
CCND1 P24385 2/20 0.40
TNF P01375 1/20 0.40
RAB9A P51151 1/20 0.40
NOD1 Q9Y239 1/20 0.40

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
SCHEMBL6345782 1.00 CRHR1 (0.49) CRHR1SOS1KRASGALR3NR2F2
SCHEMBL6350199 0.77 TP53 (0.37) CRHR1HTTALDH1A1MEN1KMT2A
SCHEMBL6345411 0.77 TP53 (0.37) CRHR1HTTALDH1A1MEN1KMT2A
SCHEMBL6357901 0.75 CRHR1 (0.53) CRHR1SOS1KRASGALR3NR2F2
SCHEMBL6356337 0.75 CRHR1 (0.53) CRHR1SOS1KRASGALR3NR2F2
SCHEMBL6166421 0.75 CRHR1 (0.49) CRHR1
SCHEMBL6167497 0.75 TLR8 (0.40) CRHR1
SCHEMBL6166430 0.73 CRHR1 (0.38) CRHR1
SCHEMBL17085318 0.71 GALR3 (0.54) SOS1KRASGALR3NR2F2TNF
SCHEMBL6168593 0.71 CRHR1 (0.46) 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 2 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
US-20040053941-A1 Substituted pyrazine derivatives PHARMACIA & UPJOHN COMPANY 2004-03-18 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 (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 1/4885SOS1 2448/4885KRAS 3549/4885

“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.