SCHEMBL4831402

SCHEMBL4831402

NC(=O)c1ccc2cc3n(c2c1)CCNc1ccccc1-3

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 15/20 0.59
RPS6KA2 Q15349 17/20 0.47
MAPKAPK2 P49137 2/20 0.44

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
SCHEMBL4144644 0.89 RPS6KA2 (0.47) RPS6KA3RPS6KA2MAPKAPK2
SCHEMBL3088133 0.81 RPS6KA3 (0.54) RPS6KA3RPS6KA2MAPKAPK2
SCHEMBL1978812 0.81 RPS6KA3 (0.85) RPS6KA3RPS6KA2MAPKAPK2
SCHEMBL3080179 0.76 RPS6KA2 (0.54) RPS6KA3RPS6KA2MAPKAPK2
SCHEMBL50820 0.76 RPS6KA3 (0.49) RPS6KA3RPS6KA2
SCHEMBL4822220 0.72 RPS6KA3 (0.40) RPS6KA3RPS6KA2
SCHEMBL271134 0.72 RPS6KA3 (0.46) RPS6KA3RPS6KA2
SCHEMBL3941964 0.72 RPS6KA3 (0.43) RPS6KA3RPS6KA2
SCHEMBL3938873 0.71 RPS6KA3 (0.45) RPS6KA3RPS6KA2
SCHEMBL3092044 0.71 RPS6KA2 (0.43) RPS6KA3RPS6KA2MAPKAPK2

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 7 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
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
EP-1776368-A1 INHIBITORS OF HCV REPLICATION Bristol-Myers Squibb Company (US) 2007-04-25 EP 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
WO-2006020082-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 WO 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 684/4885RPS6KA2 984/4885MAPKAPK2 3899/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 RPS6KA3 684/4885RPS6KA2 984/4885MAPKAPK2 3899/4885

“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.