SCHEMBL4872630

SCHEMBL4872630

Cc1ccnc(-c2ccc3cc(-c4c(-c5ccccc5)c5sc(C(=O)O)cc5n4CC(=O)N4CCSC4)ccc3n2)c1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.33
GRM5 P41594 4/20 0.32
DPP4 P27487 3/20 0.32
MAPT P10636 2/20 0.31
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL4868740 0.91 GRIN2B (0.41) GRIN2BGRM5MAPT
SCHEMBL4879016 0.90 KMT2A (0.36) GRIN2BDPP4BRD4CREBBP
SCHEMBL4872252 0.89 SCN7A (0.35) GRIN2BGRM5MAPTBRD4CREBBP
SCHEMBL4876586 0.88 KCNH2 (0.34) GRIN2BGRM5DPP4BRD4CREBBP
SCHEMBL4876599 0.87 DPP4 (0.33) DPP4MAPT
SCHEMBL4872621 0.87 ALDH1A1 (0.31) DPP4
SCHEMBL3938012 0.83 KCNH2 (0.35) GRIN2BGRM5MAPTBRD4CREBBP
SCHEMBL4877305 0.82 GRIN2B (0.43) GRIN2BGRM5MAPTGAA
SCHEMBL4868476 0.82 GRIN2B (0.40) GRIN2BGRM5MAPTGAA
SCHEMBL4868356 0.82 MAPT (0.35) MAPT

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 3420/4885GRM5 4042/4885DPP4 191/4885

“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.