SCHEMBL6356337

SCHEMBL6356337

CCc1nc(N[C@@H](C)c2ccccc2)c(CC)nc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.53
MAPT P10636 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
GALR3 O60755 1/20 0.41
NR2F2 P24468 1/20 0.41
EGFR P00533 2/20 0.41
CCNE2 O96020 3/20 0.41
CCNE1 P24864 3/20 0.41
CDK2 P24941 3/20 0.41
CDK4 P11802 2/20 0.41
CCND1 P24385 2/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SOS1 Q07889 2/20 0.39
KRAS P01116 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL6357901 1.00 CRHR1 (0.53) CRHR1MAPTKMT2AMEN1HTT
SCHEMBL6344899 0.75 CRHR1 (0.49) CRHR1MAPTKMT2AMEN1HTT
SCHEMBL6345782 0.75 CRHR1 (0.49) CRHR1MAPTKMT2AMEN1HTT
SCHEMBL6167057 0.74 CRHR1 (0.40) CRHR1KMT2AMEN1ALDH1A1ALOX15
SCHEMBL5409013 0.73 CRHR1 (0.53) CRHR1
SCHEMBL6168020 0.70 CRHR1 (0.40) CRHR1
SCHEMBL17085318 0.70 GALR3 (0.54) GALR3NR2F2EGFRSOS1KRAS
SCHEMBL481744 0.69 LDHA (0.53) MAPTKMT2AMEN1HTTGALR3
SCHEMBL481702 0.69 LDHA (0.53) MAPTKMT2AMEN1HTTGALR3
SCHEMBL6167585 0.68 CRHR1 (0.44) CRHR1MAPTKMT2AMEN1ALDH1A1

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 1/4885MAPT 2524/4885KMT2A 2414/4885

“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.