SCHEMBL5152823

SCHEMBL5152823

CC(C)n1nc(-c2nc(OCCN(C)C)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
KAT2B Q92831 1/20 0.38
ATR Q13535 2/20 0.36
TNK2 Q07912 2/20 0.36
TACR3 P29371 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
HDAC1 Q13547 3/20 0.34
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR3 P22607 1/20 0.34
LMNA P02545 2/20 0.34
ABCB11 O95342 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SCN3A Q9NY46 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL5152824 0.88 MPO (0.38) HRH3FGFR1FGFR2FGFR3CYP1A2
SCHEMBL5149212 0.88 SRC (0.40) HRH3FGFR1FGFR2FGFR3
SCHEMBL5148946 0.87 SMN1; SMN2 (0.37) ADORA2AATRHRH3HDAC1FGFR1
SCHEMBL5148967 0.87 HRH3 (0.36) ADORA2AHRH3FGFR1FGFR2FGFR3
SCHEMBL5147947 0.86 HRH3 (0.34) ADORA2AADORA1ATRHRH3FGFR1
SCHEMBL5149200 0.85 SRC (0.43) ADORA2AADORA1FGFR1FGFR2FGFR3
SCHEMBL5149085 0.85 SRC (0.38) ADORA2AATRHRH3FGFR1FGFR2
SCHEMBL5152714 0.84 SRC (0.38) ADORA2AHRH3FGFR1FGFR2FGFR3
SCHEMBL6133450 0.84 ADORA2A (0.52) ADORA2AADORA1KAT2BHRH3
SCHEMBL5150959 0.84 FGFR1 (0.39) ADORA2AADORA1FGFR1FGFR2FGFR3

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 ADORA2A 1/4885ADORA1 3/4885KAT2B 670/4885

“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.