SCHEMBL5152665

SCHEMBL5152665

CC(C)n1nc(-c2nc(N3CCC(NS(C)(=O)=O)CC3)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 2/20 0.40
IRAK4 Q9NWZ3 2/20 0.40
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
OGFRL1 Q5TC84 2/20 0.39
SMO Q99835 10/20 0.38
BTK Q06187 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
RORC P51449 1/20 0.35
CREBBP Q92793 1/20 0.34
NEK2 P51955 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
SCHEMBL5152699 0.84 MAPT (0.40) ADORA2AADORA1NEK2
SCHEMBL5147939 0.84 HRH3 (0.39) ADORA2ANEK2
SCHEMBL5149031 0.83 ALDH1A1 (0.41) ADORA2AADORA1
SCHEMBL5151108 0.82 HRH3 (0.39) ADORA2AADORA1
SCHEMBL5149109 0.82 HRH4 (0.43) ADORA2AADORA1
SCHEMBL5150685 0.82 HSD17B10 (0.42) ADORA2AADORA1
SCHEMBL5150733 0.82 ATR (0.37) ADORA2AADORA1
SCHEMBL5151145 0.81 MAPK8 (0.40) BTKADORA2AADORA1RORC
SCHEMBL5152649 0.79 MTOR (0.37) ADORA2AADORA1NEK2
SCHEMBL5152349 0.79 SMO (0.46) SMOADORA2AADORA1

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 IRAK1 2955/4885IRAK4 4123/4885OPRM1 213/4885

“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.