SCHEMBL4826413

SCHEMBL4826413

O=C(O)c1ccc2cc3n(c2c1)C=CCn1ccnc1-3

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.34
JMJD6 Q6NYC1 1/20 0.33
RPS6KA3 P51812 2/20 0.32
RPS6KA2 Q15349 2/20 0.32
TBXAS1 P24557 1/20 0.32
KDM5B Q9UGL1 3/20 0.32
KDM5A P29375 2/20 0.32
KDM4C Q9H3R0 2/20 0.32
FGFR1 P11362 1/20 0.32
P4HA1 P13674 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
MCL1 Q07820 1/20 0.32
KDM4A O75164 2/20 0.32
KDM4B O94953 1/20 0.32
KDM5C P41229 1/20 0.32
PLAU P00749 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ENPP2 Q13822 1/20 0.31

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
SCHEMBL4829832 0.78 RPS6KA2 (0.36) MAPK8RPS6KA3RPS6KA2FGFR1MAPKAPK2
SCHEMBL4825624 0.72 CA12 (0.35) MAPK8JMJD6RPS6KA3RPS6KA2KDM5B
SCHEMBL4831483 0.71 SMN1; SMN2 (0.36) RPS6KA3RPS6KA2KDM5BKDM5AKDM4C
SCHEMBL4828066 0.68 GAA (0.34) KDM5BKDM5AKDM4CFGFR1PLAU
SCHEMBL4830100 0.68 KDM4E (0.37) RPS6KA3RPS6KA2KDM5BFGFR1MAPKAPK2
SCHEMBL4830030 0.68 SLC22A12 (0.35) RPS6KA3RPS6KA2MAPKAPK2
SCHEMBL3244153 0.67 SRD5A2 (0.43) KDM5BKDM5AKDM4CFGFR1KDM4A
SCHEMBL4823474 0.65 POLB (0.36) KDM4CFGFR1P4HA1KDM4AKDM5C
SCHEMBL3075059 0.64 TBXA2R (0.36) KDM4EALDH1A1HPGDHSD17B10TTR
SCHEMBL3092075 0.63 SRPK1 (0.34) RPS6KA3MAPKAPK2

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 4 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
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 MAPK8 2989/4885JMJD6 2878/4885RPS6KA3 684/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 MAPK8 2989/4885JMJD6 2878/4885RPS6KA3 684/4885

“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.