SCHEMBL4584492

SCHEMBL4584492

CC(C)n1cc(-c2nc(C#N)c(N)nc2Cl)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.46
ADORA1 P30542 1/20 0.46
USP8 P40818 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ATR Q13535 9/20 0.40
BMPR1B O00238 2/20 0.39
BMPR1A P36894 2/20 0.39
TGFBR1 P36897 2/20 0.39
ACVRL1 P37023 2/20 0.39
ACVR1 Q04771 2/20 0.39
LCK P06239 1/20 0.34
KDR P35968 1/20 0.34
TEK Q02763 1/20 0.34
USP7 Q93009 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
SCHEMBL4584217 0.85 USP8 (0.40) ADORA2AADORA1USP8KDM4EALDH1A1
SCHEMBL4584196 0.84 ADORA2A (0.50) ADORA2AADORA1USP8ATRBMPR1B
SCHEMBL4584757 0.83 ADORA2A (0.64) ADORA2AADORA1USP8KDM4EALDH1A1
SCHEMBL4584195 0.81 ADORA1 (0.47) ADORA2AADORA1USP8KDM4EALDH1A1
SCHEMBL4585208 0.81 ADORA2A (0.50) ADORA2AADORA1USP8KDM4EALDH1A1
SCHEMBL4584131 0.81 ADORA2A (0.46) ADORA2AADORA1ATRBMPR1BBMPR1A
SCHEMBL4584884 0.80 ADORA2A (0.51) ADORA2AADORA1USP8ATRBMPR1B
SCHEMBL4584141 0.79 USP8 (0.52) ADORA2AADORA1USP8ALDH1A1ATR
SCHEMBL4585119 0.78 ADORA2A (0.46) ADORA2AADORA1USP8KDM4EATR
SCHEMBL4583858 0.77 USP8 (0.50) ADORA2AADORA1USP8KDM4EALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407961-B2 Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2008-08-05 US disclosed
CN-1871231-A Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC (JP) 2006-11-29 CN disclosed
EP-1678160-A1 PYRAZINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF Astellas Pharma Inc. (JP) 2006-07-12 EP disclosed
US-20050113387-A1 Pyrazine derivatives and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-05-26 US disclosed
WO-2005040151-A1 PYRAZINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF ASTELLAS PHARMA INC. (JP) 2005-05-06 WO 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-20050113387-A1 Pyrazine derivatives and pharmaceutical use thereof ADORA2A, P2RX5, ADORA1 ADORA2A 1/4885ADORA1 3/4885USP8 4884/4885

“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.