SCHEMBL4831504

SCHEMBL4831504

O=C(O)C1=Cc2ccncc2-c2cc3ccc(C(=O)O)cc3n2C1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 12/20 0.40
MAPKAPK2 P49137 8/20 0.40
RPS6KA2 Q15349 6/20 0.38
CSNK2A2 P19784 4/20 0.34
CSNK2A1 P68400 4/20 0.34
CSNK2B P67870 3/20 0.34

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
SCHEMBL4827969 0.85 RPS6KA3 (0.39) RPS6KA3MAPKAPK2RPS6KA2CSNK2A2CSNK2A1
SCHEMBL50870 0.84 POLB (0.39) RPS6KA3RPS6KA2
SCHEMBL4826644 0.81 RPS6KA3 (0.39) RPS6KA3MAPKAPK2RPS6KA2CSNK2A2CSNK2A1
SCHEMBL4830051 0.78 SMN1; SMN2 (0.37) RPS6KA3MAPKAPK2RPS6KA2
SCHEMBL3941964 0.76 RPS6KA3 (0.43) RPS6KA3RPS6KA2
SCHEMBL3946964 0.76 RPS6KA2 (0.41) RPS6KA3MAPKAPK2RPS6KA2
SCHEMBL51354 0.71 DAO (0.38)
SCHEMBL3938873 0.69 RPS6KA3 (0.45) RPS6KA3RPS6KA2
SCHEMBL4829961 0.68 SMN1; SMN2 (0.40) RPS6KA3MAPKAPK2RPS6KA2
SCHEMBL4830030 0.68 SLC22A12 (0.35) RPS6KA3MAPKAPK2RPS6KA2CSNK2A2CSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-7153848-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 US disclosed
US-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
US-20060046983-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-03-02 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 (2 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-20060166964-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 RPS6KA3 684/4885MAPKAPK2 3899/4885RPS6KA2 984/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 RPS6KA3 684/4885MAPKAPK2 3899/4885RPS6KA2 984/4885

“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.