SCHEMBL4823385

SCHEMBL4823385

NC(=O)c1ccc2cc3n(c2c1)C=CCc1ncccc1-3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 3/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
MKNK1 Q9BUB5 2/20 0.38
MKNK2 Q9HBH9 2/20 0.38
SLC40A1 Q9NP59 1/20 0.38
AR P10275 1/20 0.34
RIPK1 Q13546 1/20 0.34
CAMKK2 Q96RR4 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
RPS6KA2 Q15349 4/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
MAPK8 P45983 1/20 0.33
FGFR1 P11362 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
SCHEMBL4826983 0.90 SLC40A1 (0.36) RPS6KA3SLC40A1CAMKK2RPS6KA2PDE4A
SCHEMBL4826623 0.83 KMT2A (0.33) SLC40A1NPC1
SCHEMBL4829827 0.82 RPS6KA3 (0.41) RPS6KA3JAK2JAK1TYK2JAK3
SCHEMBL841837 0.81 RPS6KA3 (0.41) RPS6KA3JAK2JAK1TYK2JAK3
SCHEMBL4831486 0.77 RPS6KA3 (0.41) RPS6KA3JAK2JAK1TYK2JAK3
SCHEMBL4825624 0.75 CA12 (0.35) RPS6KA3SLC40A1RPS6KA2MAPK8FGFR1
SCHEMBL4828067 0.72 RPS6KA3 (0.45) RPS6KA3JAK2JAK1TYK2JAK3
SCHEMBL4822220 0.71 RPS6KA3 (0.40) RPS6KA3JAK2JAK1TYK2JAK3
SCHEMBL3244153 0.70 SRD5A2 (0.43) RAB9AFGFR1
SCHEMBL3945086 0.68 RPS6KA3 (0.40) RPS6KA3RPS6KA2

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.