SCHEMBL4584757

SCHEMBL4584757

CC(C)n1cc(-c2nc(C#N)c(N)nc2-c2ccc(F)cc2)ccc1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.64
ADORA1 P30542 4/20 0.64
USP8 P40818 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2B P29275 1/20 0.42
TGFBR1 P36897 3/20 0.40
ATR Q13535 3/20 0.39
MAPK14 Q16539 1/20 0.38
BMPR1B O00238 1/20 0.38
BMPR1A P36894 1/20 0.38
ACVRL1 P37023 1/20 0.38
ACVR1 Q04771 1/20 0.38
NPY5R Q15761 1/20 0.38
ERBB2 P04626 1/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL4584196 0.89 ADORA2A (0.50) ADORA2AADORA1USP8TGFBR1ATR
SCHEMBL4584884 0.89 ADORA2A (0.51) ADORA2AADORA1USP8ADORA2BTGFBR1
SCHEMBL4585208 0.89 ADORA2A (0.50) ADORA2AADORA1USP8TGFBR1ATR
SCHEMBL4584195 0.86 ADORA1 (0.47) ADORA2AADORA1USP8ATRKDM4E
SCHEMBL4584141 0.86 USP8 (0.52) ADORA2AADORA1USP8ADORA3ADORA2B
SCHEMBL29907736 0.86 ADORA2A (0.52) ADORA2AADORA1USP8ADORA3ADORA2B
SCHEMBL22552019 0.86 ADORA2A (0.52) ADORA2AADORA1USP8ADORA3ADORA2B
SCHEMBL4584492 0.83 ADORA2A (0.46) ADORA2AADORA1USP8TGFBR1ATR
SCHEMBL5151091 0.82 ADORA2A (0.43) ADORA2AADORA1USP8ADORA3ADORA2B
SCHEMBL4583858 0.82 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.