SCHEMBL2709126

SCHEMBL2709126

O=C(Nc1ccc(-c2ccc(-c3cnc([C@@H]4CCCN4)[nH]3)cc2)cc1)[C@@H]1CCCN1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN3A Q9NY46 3/20 0.70
▸ SCN9A Q15858 2/20 0.70
▸ DHODH Q02127 2/20 0.47
▸ IKBKB O14920 2/20 0.44
▸ CHUK O15111 1/20 0.44
▸ PSMB8 P28062 2/20 0.44
▸ AAK1 Q2M2I8 3/20 0.44
▸ JAK2 O60674 2/20 0.44
▸ PDGFRB P09619 2/20 0.44
▸ FLT3 P36888 2/20 0.44
▸ KIT P10721 1/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ FLT1 P17948 1/20 0.44
▸ RPS6KB1 P23443 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ TYK2 P29597 1/20 0.44
▸ FLT4 P35916 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ MAP3K9 P80192 1/20 0.44

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
SCHEMBL205890 1.00 SCN3A (0.70) SCN3ASCN9ADHODHIKBKBCHUK
SCHEMBL204893 0.90 SCN3A (0.57) SCN3ASCN9ADHODHIKBKBCHUK
SCHEMBL2709439 0.90 SCN3A (0.57) SCN3ASCN9ADHODHIKBKBCHUK
SCHEMBL18849750 0.89 SCN3A (0.56) SCN3ASCN9ADHODHIKBKBCHUK
SCHEMBL28651738 0.89 SCN3A (0.56) SCN3ASCN9ADHODHIKBKBCHUK
SCHEMBL15586705 0.89 SCN3A (0.59) SCN3ASCN9ADHODHIKBKBCHUK
SCHEMBL10222792 0.88 SCN3A (0.57) SCN3ASCN9ADHODHIKBKBCHUK
SCHEMBL24731039 0.86 SCN3A (0.55) SCN3ASCN9ADHODHIKBKBCHUK
SCHEMBL18849675 0.86 SCN3A (0.53) SCN3ASCN9ADHODHIKBKBCHUK
SCHEMBL2693904 0.86 SCN3A (0.55) 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 — — US disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 — — EP disclosed
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 — — EP disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 — — US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 — — US disclosed
EP-3002281-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2016-04-06 — — EP disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 — — US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 — — US disclosed
US-8822430-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-02 — — US disclosed
US-8669234-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-03-11 — — US disclosed
US-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 — — US disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 — — US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 — — US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 — — US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 — — US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 — — US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 — — US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 — — US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 — — US disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 — — 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 (7 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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SCN3A 4707/4885SCN9A 4474/4885DHODH 872/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SCN3A 4707/4885SCN9A 4474/4885DHODH 872/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SCN3A 4707/4885SCN9A 4474/4885DHODH 872/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SCN3A 4707/4885SCN9A 4474/4885DHODH 872/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SCN3A 4707/4885SCN9A 4474/4885DHODH 872/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SCN3A 4707/4885SCN9A 4474/4885DHODH 872/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SCN3A 4707/4885SCN9A 4474/4885DHODH 872/4885

“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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