SCHEMBL4585100

SCHEMBL4585100

COc1cccc(-c2nc(N)c(C(=O)O)nc2-c2ccc(=O)n(C(C)C)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
LMNA P02545 2/20 0.43
PIN1 Q13526 1/20 0.43
BRD4 O60885 1/20 0.43
ADORA2A P29274 5/20 0.42
ADORA1 P30542 3/20 0.42
PIK3CG P48736 2/20 0.42
SRC P12931 3/20 0.41
PRKDC P78527 2/20 0.41
PIK3CD O00329 1/20 0.41
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41
HCK P08631 1/20 0.41
KDR P35968 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
MTOR P42345 1/20 0.41
EPHB4 P54760 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL4584451 0.92 IKBKB (0.47) KMT2ALMNABRD4ADORA2AADORA1
SCHEMBL4586459 0.89 ADORA2A (0.47) KMT2ALMNAADORA2AADORA1PIK3CG
SCHEMBL4584817 0.87 ADORA2A (0.51) ADORA2AADORA1ATR
SCHEMBL4584638 0.85 ADORA2A (0.51) PIN1ADORA2AADORA1ATR
SCHEMBL4584765 0.85 ADORA2A (0.43) PIN1ADORA2AADORA1ATR
SCHEMBL4584900 0.84 ADORA2A (0.44) LMNAADORA2AADORA1KDRKDM4E
SCHEMBL4585542 0.82 ADORA2A (0.64) BRD4ADORA2AADORA1PIK3CGSRC
SCHEMBL4585332 0.82 ADORA2A (0.48) ADORA2AADORA1KDM4EHSD17B10ALDH1A1
SCHEMBL4584621 0.82 ADORA2A (0.54) ADORA2AADORA1ADORA3ATR
SCHEMBL4585119 0.82 ADORA2A (0.46) KMT2ABRD4ADORA2AADORA1PIK3CG

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-7407961-B2 Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2008-08-05 US disclosed
US-20050113387-A1 Pyrazine derivatives and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-05-26 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-20050113387-A1 Pyrazine derivatives and pharmaceutical use thereof ADORA2A, P2RX5, ADORA1 KMT2A 3426/4885LMNA 2732/4885PIN1 3616/4885

“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.