SCHEMBL5147939

SCHEMBL5147939

COC1CCN(c2nc(-c3ccc(=O)n(C(C)C)n3)c(-c3ccccc3)nc2N)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.39
HPGD P15428 1/20 0.38
NEK2 P51955 4/20 0.36
EGFR P00533 2/20 0.36
CDK2 P24941 1/20 0.36
KDR P35968 1/20 0.36
GRIA1 P42261 5/20 0.35
FFAR2 O15552 1/20 0.35
ADORA2A P29274 1/20 0.34
MAOB P27338 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MAP4K4 O95819 1/20 0.33

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
SCHEMBL5152699 0.87 MAPT (0.40) HRH3HPGDNEK2ADORA2A
SCHEMBL5149031 0.86 ALDH1A1 (0.41) HRH3HPGDADORA2A
SCHEMBL5151108 0.85 HRH3 (0.39) HRH3ADORA2A
SCHEMBL5149109 0.85 HRH4 (0.43) ADORA2A
SCHEMBL5150685 0.85 HSD17B10 (0.42) HPGDADORA2A
SCHEMBL5150733 0.85 ATR (0.37) HPGDADORA2A
SCHEMBL5152665 0.84 IRAK1 (0.40) NEK2ADORA2A
SCHEMBL5149198 0.84 SIRT1 (0.43) HRH3ADORA2A
SCHEMBL5151145 0.84 MAPK8 (0.40) ADORA2AMAP4K4
SCHEMBL5152649 0.82 MTOR (0.37) HRH3NEK2GRIA1FFAR2ADORA2A

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-7265120-B2 Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2007-09-04 US disclosed
US-20050222159-A1 Pyrazine derivatives and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-10-06 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-20050222159-A1 Pyrazine derivatives and pharmaceutical use thereof ADORA2A, HTR5A, ADORA1 HRH3 43/4885HPGD 375/4885NEK2 2029/4885

“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.