SCHEMBL237633

SCHEMBL237633

CC(C)(C)c1ccc(N2[C@@H](c3ccc4nc([C@@H]5CCCN5)[nH]c4c3Cl)CC[C@@H]2c2ccc3nc([C@@H]4CCCN4)[nH]c3c2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 2/20 0.53
PDCD1LG2 Q9BQ51 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
CDC7 O00311 8/20 0.34
CCNE1 P24864 7/20 0.34
CDK2 P24941 7/20 0.34
ROCK1 Q13464 7/20 0.34
DBF4 Q9UBU7 7/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PARP1 P09874 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DYRK1A Q13627 3/20 0.32
CCNC P24863 2/20 0.32
CDK8 P49336 2/20 0.32

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
SCHEMBL237639 1.00 SCN10A (0.53) SCN10APDCD1LG2CD274CDC7CCNE1
SCHEMBL240749 0.89 SCN10A (0.54) SCN10APDCD1LG2CD274CDC7CCNE1
SCHEMBL240593 0.89 SCN10A (0.54) SCN10APDCD1LG2CD274CDC7CCNE1
SCHEMBL2275135 0.88 SCN10A (0.53) SCN10ACDC7CCNE1CDK2ROCK1
SCHEMBL240231 0.88 SCN10A (0.53) SCN10ACDC7CCNE1CDK2ROCK1
SCHEMBL239486 0.88 SCN10A (0.53) SCN10ACDC7CCNE1CDK2ROCK1
SCHEMBL240766 0.78 SCN10A (0.71) SCN10AALDH1A1LMNAMAPTHTT
SCHEMBL241603 0.78 SCN10A (0.61) SCN10ACDC7CCNE1CDK2ROCK1
SCHEMBL18653157 0.78 SCN10A (0.61) SCN10ACDC7CCNE1CDK2ROCK1
SCHEMBL1592500 0.76 SCN10A (0.61) SCN10ACDC7CCNE1CDK2ROCK1

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 16 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
EP-3438106-A1 ANTI-VIRAL COMPOUNDS AbbVie Ireland Unlimited Company (IE) 2019-02-06 EP disclosed
US-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 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
EP-2692726-A1 Anti-viral compounds Abbvie Inc. (US) 2014-02-05 EP disclosed
EP-2692346-A1 An antiviral 1-phenyl-2,5-dibenzimidazol-5-yl-pyrrolidine derivative Abbvie Inc. (US) 2014-02-05 EP disclosed
US-20120220562-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-08-30 US 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 (8 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-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SCN10A 4583/4885PDCD1LG2 3488/4885CD274 2286/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SCN10A 4583/4885PDCD1LG2 3488/4885CD274 2286/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SCN10A 4583/4885PDCD1LG2 3488/4885CD274 2286/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SCN10A 4583/4885PDCD1LG2 3488/4885CD274 2286/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SCN10A 4583/4885PDCD1LG2 3488/4885CD274 2286/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SCN10A 4583/4885PDCD1LG2 3488/4885CD274 2286/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SCN10A 4583/4885PDCD1LG2 3488/4885CD274 2286/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS SCN10A 4583/4885PDCD1LG2 3488/4885CD274 2286/4885

“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.