Sugi Predict

Sugi Predict / Compounds / SCHEMBL3266041

SCHEMBL3266041

SCHEMBL3266041

CC(C)(C)c1ccc(N2C(c3ccc(NC(=O)[C@@H]4CCCN4)cc3)CCC2c2ccc(NC(=O)[C@@H]3CCCN3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN3A Q9NY46 3/20 0.45
▸ SCN9A Q15858 2/20 0.45
▸ SCN5A Q14524 1/20 0.45
▸ PSMB8 P28062 2/20 0.44
▸ JAK2 O60674 2/20 0.43
▸ PDGFRB P09619 2/20 0.43
▸ FLT3 P36888 2/20 0.43
▸ IKBKB O14920 1/20 0.43
▸ KIT P10721 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ FLT1 P17948 1/20 0.43
▸ RPS6KB1 P23443 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ TYK2 P29597 1/20 0.43
▸ FLT4 P35916 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ MAP3K9 P80192 1/20 0.43
▸ PLK4 O00444 1/20 0.43
▸ CIT O14578 1/20 0.43

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
SCHEMBL16638709 0.86 SCN3A (0.52) SCN3ASCN9ASCN5APSMB8EPHX1
SCHEMBL18913949 0.86 JAK2 (0.45) SCN3ASCN9ASCN5APSMB8JAK2
SCHEMBL3265383 0.86 JAK2 (0.45) SCN3ASCN9ASCN5APSMB8JAK2
SCHEMBL1982263 0.85 SCN10A (0.47) SCN3ASCN9ASCN5APSMB8JAK2
SCHEMBL1982269 0.85 SCN10A (0.47) SCN3ASCN9ASCN5APSMB8JAK2
SCHEMBL1983264 0.85 SCN10A (0.47) SCN3ASCN9ASCN5APSMB8JAK2
SCHEMBL1983260 0.85 SCN10A (0.47) SCN3ASCN9ASCN5APSMB8JAK2
Hydrochloric Acid SCHEMBL1986434 0.85 SCN3A (0.46) SCN3ASCN9ASCN5APSMB8JAK2
Hydrochloric Acid SCHEMBL2368224 0.85 SCN3A (0.46) SCN3ASCN9ASCN5APSMB8JAK2
SCHEMBL2756449 0.84 HDAC2 (0.47) SCN3ASCN9ASCN5APSMB8FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 — — US disclosed
US-20190015402-A1 Anti-Viral Compounds ABBVIE INC. (US) 2019-01-17 — — US disclosed
US-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 — — US disclosed
US-10028937-B2 Anti-viral compounds ABBVIE INC. (US) 2018-07-24 — — US disclosed
US-20170157105-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 — — US disclosed
US-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 — — US disclosed
EP-2678334-B1 ANTI-VIRAL COMPOUNDS ABBVIE BAHAMAS LTD (BS) 2017-03-22 — — EP disclosed
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 — — US disclosed
EP-2692346-B1 An antiviral 1-phenyl-2,5-dibenzimidazol-5-yl-pyrrolidine derivative ABBVIE BAHAMAS LTD (BS) 2015-12-02 — — EP disclosed
US-20150087618-A1 Anti-Viral Compounds ABBVIE INC. (US) 2015-03-26 — — US disclosed
US-8937150-B2 Anti-viral compounds ABBVIE INC. (US) 2015-01-20 — — US disclosed
US-8921514-B2 Anti-viral compounds ABBVIE INC. (US) 2014-12-30 — — US disclosed
US-20120220562-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-08-30 — — US disclosed
WO-2012116257-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2012-08-30 — — WO disclosed
WO-2012051361-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-04-19 — — WO disclosed
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 — — US disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 — — US disclosed
US-20110092415-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-04-21 — — 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 (11 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-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS SCN3A 4568/4885SCN9A 4625/4885SCN5A 4623/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SCN3A 4568/4885SCN9A 4625/4885SCN5A 4623/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SCN3A 4568/4885SCN9A 4625/4885SCN5A 4623/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SCN3A 4568/4885SCN9A 4625/4885SCN5A 4623/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SCN3A 4568/4885SCN9A 4625/4885SCN5A 4623/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SCN3A 4568/4885SCN9A 4625/4885SCN5A 4623/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SCN3A 4568/4885SCN9A 4625/4885SCN5A 4623/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SCN3A 4568/4885SCN9A 4625/4885SCN5A 4623/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SCN3A 4568/4885SCN9A 4625/4885SCN5A 4623/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SCN3A 4568/4885SCN9A 4625/4885SCN5A 4623/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS SCN3A 4568/4885SCN9A 4625/4885SCN5A 4623/4885

“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.