SCHEMBL4825619

SCHEMBL4825619

O=C1Cn2c(c(C3CCCCC3)c3ccc(C(=O)O)cc32)-c2ncccc2N1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 5/20 0.44
GSK3B P49841 5/20 0.44
CDK5 Q00535 2/20 0.44
CDK5R1 Q15078 2/20 0.44
PRKCA P17252 1/20 0.41
MMP12 P39900 1/20 0.41
SCN9A Q15858 1/20 0.39
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
KDM4A O75164 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35

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
SCHEMBL14263673 0.91 SCN9A (0.38) GSK3AGSK3BCDK5CDK5R1PRKCA
SCHEMBL4831754 0.90 CREBBP (0.39) GSK3AGSK3BCDK5CDK5R1SCN9A
SCHEMBL874916 0.86 PRKCA (0.50) GSK3BPRKCAMMP12SCN9A
SCHEMBL5422890 0.85 PRKCA (0.41) PRKCAMMP12SCN9A
SCHEMBL14253244 0.78 CYP3A4 (0.67) CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL14253260 0.78 PRKCA (0.42) PRKCAMMP12SCN9AKDM4AKDM5A
SCHEMBL4829840 0.77 PRKCA (0.49) PRKCAMMP12SCN9ACYP3A4CYP2C19
SCHEMBL14435330 0.77 PRKCA (0.43) GSK3BCDK5CDK5R1PRKCAMMP12
SCHEMBL14253180 0.76 SCN9A (0.39) PRKCAMMP12SCN9A
SCHEMBL14253281 0.76 SCN9A (0.48) PRKCAMMP12SCN9ACYP3A4CYP2C19

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
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
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 GSK3A 906/4885GSK3B 751/4885CDK5 417/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 GSK3A 906/4885GSK3B 751/4885CDK5 417/4885

“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.