SCHEMBL4831486

SCHEMBL4831486

NC(=O)c1ccc2cc3n(c2c1)C=CCc1ccncc1-3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 7/20 0.41
AR P10275 1/20 0.37
SLC22A12 Q96S37 2/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
TYK2 P29597 2/20 0.35
JAK3 P52333 2/20 0.35
RPS6KA2 Q15349 4/20 0.33
MAPKAPK2 P49137 3/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
BMPR2 Q13873 1/20 0.33
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32
SARM1 Q6SZW1 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT6 Q8N6T7 1/20 0.32
SIRT1 Q96EB6 1/20 0.32

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
SCHEMBL4830030 0.90 SLC22A12 (0.35) RPS6KA3SLC22A12RPS6KA2MAPKAPK2CSNK2A2
SCHEMBL841837 0.83 RPS6KA3 (0.41) RPS6KA3JAK2JAK1TYK2JAK3
SCHEMBL4829827 0.77 RPS6KA3 (0.41) RPS6KA3ARJAK2JAK1TYK2
SCHEMBL4823385 0.77 RPS6KA3 (0.41) RPS6KA3ARJAK2JAK1TYK2
SCHEMBL3244153 0.72 SRD5A2 (0.43)
SCHEMBL4827969 0.69 RPS6KA3 (0.39) RPS6KA3RPS6KA2MAPKAPK2CSNK2A2CSNK2B
SCHEMBL4822220 0.66 RPS6KA3 (0.40) RPS6KA3JAK2JAK1TYK2JAK3
SCHEMBL4825624 0.66 CA12 (0.35) RPS6KA3RPS6KA2
SCHEMBL3945086 0.66 RPS6KA3 (0.40) RPS6KA3RPS6KA2
SCHEMBL6648425 0.64 AR (0.55) RPS6KA3ARMKNK1MKNK2CSNK2A2

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 684/4885AR 4296/4885SLC22A12 3629/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 RPS6KA3 684/4885AR 4296/4885SLC22A12 3629/4885

“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.