SCHEMBL12403439

SCHEMBL12403439

O=C(Nc1ccc(-c2ncc(-c3ccc4[nH]c([C@@H]5CCCN5)nc4c3)o2)cc1)[C@@H]1CCCN1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN3A Q9NY46 3/20 0.47
▸ SCN9A Q15858 2/20 0.47
▸ DHODH Q02127 2/20 0.45
▸ IKBKB O14920 2/20 0.43
▸ CHUK O15111 1/20 0.43
▸ PSMB8 P28062 2/20 0.42
▸ JAK2 O60674 2/20 0.40
▸ PDGFRB P09619 2/20 0.40
▸ FLT3 P36888 2/20 0.40
▸ AAK1 Q2M2I8 2/20 0.40
▸ KIT P10721 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ RPS6KB1 P23443 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ MAP3K9 P80192 1/20 0.40

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
SCHEMBL10201555 0.92 DHODH (0.43) SCN3ASCN9ADHODHIKBKBCHUK
SCHEMBL12403437 0.92 DHODH (0.43) SCN3ASCN9ADHODHIKBKBCHUK
SCHEMBL12405016 0.88 DHODH (0.39) SCN3ASCN9ADHODHIKBKBCHUK
SCHEMBL12403445 0.88 SCN3A (0.37) SCN3ASCN9ADHODHIKBKBCHUK
SCHEMBL12406273 0.84 PTGES (0.38) SCN3ASCN9ADHODHPARP1GSK3B
SCHEMBL14828738 0.82 SCN3A (0.59) SCN3ASCN9ADHODHIKBKBCHUK
SCHEMBL12489110 0.82 SCN3A (0.59) SCN3ASCN9ADHODHIKBKBCHUK
SCHEMBL12799037 0.82 SCN10A (0.50) AAK1CITCSNK2A2PARP1GSK3B
SCHEMBL19488872 0.82 SCN3A (0.43) SCN3ASCN9ADHODHIKBKBCHUK
SCHEMBL10223087 0.81 PSMB8 (0.47) SCN3ASCN9ADHODHIKBKBCHUK

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809548-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-19 — — US disclosed
US-8809548-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-19 — — US disclosed
US-20140205564-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-07-24 — — US disclosed
US-8394968-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-12 — — US disclosed
EP-2398794-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-01-16 — — EP disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 — — US disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 — — US disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 — — 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 (3 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-20100215616-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SCN3A 4428/4885SCN9A 4692/4885DHODH 1550/4885
US-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SCN3A 4428/4885SCN9A 4692/4885DHODH 1550/4885
US-20140205564-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SCN3A 4428/4885SCN9A 4692/4885DHODH 1550/4885

“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.

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