SCHEMBL4828067

SCHEMBL4828067

NC(=O)c1ccc2cc3n(c2c1)CC=Cc1ncccc1-3

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 8/20 0.45
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
MKNK1 Q9BUB5 2/20 0.37
MKNK2 Q9HBH9 2/20 0.37
RPS6KA2 Q15349 3/20 0.36
SLC40A1 Q9NP59 1/20 0.35
MAPKAPK2 P49137 5/20 0.34
FGFR1 P11362 1/20 0.34
AR P10275 1/20 0.34
RIPK1 Q13546 1/20 0.33
ROCK2 O75116 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 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
SCHEMBL4823794 0.90 SMN1; SMN2 (0.37) RPS6KA3RPS6KA2SLC40A1MAPKAPK2FGFR1
SCHEMBL4825673 0.82 RPS6KA3 (0.45) RPS6KA3JAK2JAK1TYK2JAK3
SCHEMBL271134 0.81 RPS6KA3 (0.46) RPS6KA3RPS6KA2FGFR1ROCK2PIM1
SCHEMBL16354331 0.72 ACLY (0.36) RPS6KA3JAK2JAK1TYK2JAK3
SCHEMBL4829943 0.72 SMN1; SMN2 (0.37) RPS6KA3RPS6KA2SLC40A1MAPKAPK2FGFR1
SCHEMBL4823385 0.72 RPS6KA3 (0.41) RPS6KA3JAK2JAK1TYK2JAK3
SCHEMBL50820 0.71 RPS6KA3 (0.49) RPS6KA3RPS6KA2FGFR1ROCK2PIM1
SCHEMBL270972 0.71 POLB (0.40) RPS6KA3RPS6KA2FGFR1
SCHEMBL4831402 0.69 RPS6KA3 (0.59) RPS6KA3RPS6KA2MAPKAPK2
SCHEMBL4826644 0.67 RPS6KA3 (0.39) 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 684/4885JAK2 535/4885JAK1 1037/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 RPS6KA3 684/4885JAK2 535/4885JAK1 1037/4885

“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.