SCHEMBL4866922

SCHEMBL4866922

Cc1nc(C)c(-c2ccc3cc(-c4c(-c5ccccc5)c5sc(C(=O)O)c(CN(C)C)c5n4CC(=O)N4CCOCC4)ccc3n2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.36
PTGS2 P35354 2/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
KCNH2 Q12809 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
POLB P06746 2/20 0.34
EGFR P00533 1/20 0.34
TYMS P04818 1/20 0.34
LTA4H P09960 1/20 0.34
VDR P11473 1/20 0.34
SRC P12931 1/20 0.34
MAPK1 P28482 1/20 0.34
CTSK P43235 1/20 0.34
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 1/20 0.33
CNR1 P21554 1/20 0.33
TSHR P16473 2/20 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
SCHEMBL4875057 0.89 KCNH2 (0.35) GRIN2BPTGS2BRD4CREBBPKCNH2
SCHEMBL4875248 0.89 PTGS2 (0.35) GRIN2BPTGS2BRD4CREBBPKCNH2
SCHEMBL4866906 0.88 KCNH2 (0.38) GRIN2BPTGS2BRD4CREBBPKCNH2
SCHEMBL3931413 0.84 BRD4 (0.42) GRIN2BPTGS2BRD4CREBBPPOLB
SCHEMBL4868432 0.81 KCNH2 (0.34) KCNH2HRH3
SCHEMBL4879197 0.81 GRIN2B (0.39) GRIN2BPTGS2BRD4CREBBPPOLB
SCHEMBL2989236 0.80 EGFR (0.44) GRIN2BPTGS2POLBEGFRTYMS
SCHEMBL4874715 0.80 BRD4 (0.38) GRIN2BBRD4CREBBPKCNH2HRH3
SCHEMBL4876126 0.79 KCNH2 (0.33) KCNH2HRH3ALDH1A1KDM4E
SCHEMBL4876347 0.78 GRIN2B (0.39) GRIN2BBRD4CREBBPKCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 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-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 GRIN2B 3420/4885PTGS2 2888/4885BRD4 3577/4885

“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.