SCHEMBL4829832

SCHEMBL4829832

O=C(O)c1ccc2cc3n(c2c1)CC=Cn1ccnc1-3

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 11/20 0.36
RPS6KA3 P51812 8/20 0.36
FGFR1 P11362 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPKAPK2 P49137 2/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.32
HPGD P15428 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
SCHEMBL4826413 0.78 MAPK8 (0.34) RPS6KA2RPS6KA3FGFR1MAPK8MAPKAPK2
SCHEMBL4829943 0.71 SMN1; SMN2 (0.37) RPS6KA2RPS6KA3FGFR1MAPK8MAPKAPK2
SCHEMBL4823794 0.71 SMN1; SMN2 (0.37) RPS6KA2RPS6KA3FGFR1MAPKAPK2
SCHEMBL4826644 0.69 RPS6KA3 (0.39) RPS6KA2RPS6KA3MAPKAPK2
SCHEMBL270972 0.68 POLB (0.40) RPS6KA2RPS6KA3FGFR1HSD17B10HPGD
SCHEMBL4829961 0.65 SMN1; SMN2 (0.40) RPS6KA2RPS6KA3FGFR1MAPKAPK2
SCHEMBL4139802 0.64 FGFR1 (0.38) RPS6KA2RPS6KA3FGFR1HSD17B10HTT
SCHEMBL4825624 0.64 CA12 (0.35) RPS6KA2RPS6KA3FGFR1MAPK8HSD17B10
SCHEMBL3088114 0.64 RPS6KA3 (0.67) RPS6KA2RPS6KA3MAPKAPK2
SCHEMBL4831483 0.63 SMN1; SMN2 (0.36) RPS6KA2RPS6KA3FGFR1

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 RPS6KA2 984/4885RPS6KA3 684/4885FGFR1 3893/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 RPS6KA2 984/4885RPS6KA3 684/4885FGFR1 3893/4885

“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.