SCHEMBL4829943

SCHEMBL4829943

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RPS6KA3 P51812 9/20 0.36
RPS6KA2 Q15349 3/20 0.36
POLB P06746 1/20 0.36
FGFR1 P11362 1/20 0.36
MAPKAPK2 P49137 5/20 0.35
SLC40A1 Q9NP59 1/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
MAPK8 P45983 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
SCHEMBL4825673 0.90 RPS6KA3 (0.45) RPS6KA3RPS6KA2FGFR1MAPKAPK2SLC40A1
SCHEMBL4823794 0.82 SMN1; SMN2 (0.37) SMN1; SMN2MEN1KMT2AKDM4ERPS6KA3
SCHEMBL270972 0.81 POLB (0.40) KMT2AKDM4ERPS6KA3RPS6KA2POLB
SCHEMBL4830051 0.81 SMN1; SMN2 (0.37) SMN1; SMN2MEN1KMT2AKDM4ERPS6KA3
SCHEMBL4829961 0.79 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2AKDM4ERPS6KA3
SCHEMBL4826644 0.77 RPS6KA3 (0.39) RPS6KA3RPS6KA2MAPKAPK2
SCHEMBL4828067 0.72 RPS6KA3 (0.45) RPS6KA3RPS6KA2FGFR1MAPKAPK2SLC40A1
SCHEMBL4790138 0.72
SCHEMBL4829832 0.71 RPS6KA2 (0.36) RPS6KA3RPS6KA2FGFR1MAPKAPK2MAPK8
SCHEMBL4831483 0.71 SMN1; SMN2 (0.36) SMN1; SMN2MEN1KMT2AKDM4ERPS6KA3

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 6 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
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 SMN1; SMN2 4394/4885MEN1 4615/4885KMT2A 3626/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 SMN1; SMN2 4394/4885MEN1 4615/4885KMT2A 3626/4885

“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.