SCHEMBL4825673

SCHEMBL4825673

NC(=O)c1ccc2cc3n(c2c1)CC=Cc1cccnc1-3

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 10/20 0.45
RPS6KA2 Q15349 4/20 0.36
SLC40A1 Q9NP59 1/20 0.35
MAPKAPK2 P49137 6/20 0.35
MAPK8 P45983 1/20 0.34
FGFR1 P11362 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
RIPK1 Q13546 1/20 0.33
PDE10A Q9Y233 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
SCHEMBL4829943 0.90 SMN1; SMN2 (0.37) RPS6KA3RPS6KA2SLC40A1MAPKAPK2MAPK8
SCHEMBL4828067 0.82 RPS6KA3 (0.45) RPS6KA3RPS6KA2SLC40A1MAPKAPK2FGFR1
SCHEMBL271134 0.81 RPS6KA3 (0.46) RPS6KA3RPS6KA2FGFR1
SCHEMBL16354331 0.72 ACLY (0.36) RPS6KA3FGFR1JAK2JAK1TYK2
SCHEMBL4823794 0.72 SMN1; SMN2 (0.37) RPS6KA3RPS6KA2SLC40A1MAPKAPK2FGFR1
SCHEMBL4829827 0.72 RPS6KA3 (0.41) RPS6KA3RPS6KA2SLC40A1MAPKAPK2FGFR1
SCHEMBL4830051 0.71 SMN1; SMN2 (0.37) RPS6KA3RPS6KA2SLC40A1MAPKAPK2MAPK8
SCHEMBL270972 0.71 POLB (0.40) RPS6KA3RPS6KA2FGFR1
SCHEMBL4829961 0.68 SMN1; SMN2 (0.40) RPS6KA3RPS6KA2SLC40A1MAPKAPK2FGFR1
SCHEMBL4823385 0.67 RPS6KA3 (0.41) RPS6KA3RPS6KA2SLC40A1MAPKAPK2MAPK8

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 5 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
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 684/4885RPS6KA2 984/4885SLC40A1 2619/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 RPS6KA3 684/4885RPS6KA2 984/4885SLC40A1 2619/4885

“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.