SCHEMBL12489110

SCHEMBL12489110

O=C(Nc1ccc(-c2cnc(-c3ccc(NC(=O)[C@@H]4CCCN4)cc3)o2)cc1)[C@@H]1CCCN1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN3A Q9NY46 3/20 0.59
▸ SCN9A Q15858 2/20 0.59
▸ JAK2 O60674 2/20 0.48
▸ PDGFRB P09619 2/20 0.48
▸ FLT3 P36888 2/20 0.48
▸ IKBKB O14920 2/20 0.48
▸ AAK1 Q2M2I8 2/20 0.48
▸ KIT P10721 1/20 0.48
▸ PDGFRA P16234 1/20 0.48
▸ FLT1 P17948 1/20 0.48
▸ RPS6KB1 P23443 1/20 0.48
▸ JAK1 P23458 1/20 0.48
▸ TYK2 P29597 1/20 0.48
▸ FLT4 P35916 1/20 0.48
▸ KDR P35968 1/20 0.48
▸ JAK3 P52333 1/20 0.48
▸ MAP3K9 P80192 1/20 0.48
▸ PLK4 O00444 1/20 0.48
▸ CIT O14578 1/20 0.48
▸ GAK O14976 1/20 0.48

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
SCHEMBL14828738 1.00 SCN3A (0.59) SCN3ASCN9AJAK2PDGFRBFLT3
SCHEMBL12490815 0.91 MEN1 (0.52) SCN3ASCN9AJAK2PDGFRBFLT3
SCHEMBL2194148 0.86 SCN3A (0.46) SCN3ASCN9AJAK2PDGFRBFLT3
SCHEMBL2193908 0.86 SCN3A (0.46) SCN3ASCN9AJAK2PDGFRBFLT3
SCHEMBL14664044 0.85 SCN3A (0.58) SCN3ASCN9AJAK2PDGFRBFLT3
SCHEMBL12489758 0.85 SCN3A (0.57) SCN3ASCN9AJAK2PDGFRBFLT3
SCHEMBL12403439 0.82 SCN3A (0.47) SCN3ASCN9AJAK2PDGFRBFLT3
SCHEMBL13388756 0.82 SCN3A (0.64) SCN3ASCN9AJAK2PDGFRBFLT3
SCHEMBL10223615 0.78 SCN3A (0.50) SCN3ASCN9AJAK2PDGFRBFLT3
SCHEMBL10222766 0.77 ALDH1A1 (0.58) SCN3ASCN9AKDM4EMEN1NPC1

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-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 — — US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 — — US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 — — US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 — — US disclosed
WO-2011082077-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-07 — — 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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 SCN3A 4081/4885SCN9A 3921/4885JAK2 1320/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 SCN3A 4081/4885SCN9A 3921/4885JAK2 1320/4885

“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.

Send feedback