Sugi Predict

Sugi Predict / Compounds / SCHEMBL1989751

SCHEMBL1989751

SCHEMBL1989751

CC(C)(C)c1ccc(N2[C@H](c3ccc(N)cc3)CC[C@H]2c2ccc(N)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ RIPK1 Q13546 1/20 0.38
▸ KMT2A Q03164 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ GFER P55789 2/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ PTK2B Q14289 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36

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
SCHEMBL14856415 1.00 MAPT (0.43) MAPTALDH1A1NPC1HPGDMAPK1
SCHEMBL1989823 1.00 MAPT (0.43) MAPTALDH1A1NPC1HPGDMAPK1
SCHEMBL237269 0.84 PRKCZ (0.45) MAPTALDH1A1NPC1MAPK1RAB9A
SCHEMBL240803 0.84 PRKCZ (0.45) MAPTALDH1A1NPC1MAPK1RAB9A
SCHEMBL1989822 0.84 RIPK1 (0.38) MAPK1SLC6A2SLC6A4SLC6A3RIPK1
SCHEMBL1983143 0.84 KIF11 (0.47) CYP3A4PRKCZ
SCHEMBL2374410 0.84 RIPK1 (0.38) MAPK1SLC6A2SLC6A4SLC6A3RIPK1
SCHEMBL1982165 0.84 KIF11 (0.47) CYP3A4PRKCZ
SCHEMBL240802 0.84 PRKCZ (0.45) MAPTALDH1A1NPC1MAPK1RAB9A
SCHEMBL1982140 0.84 MAPT (0.35) MAPTALDH1A1NPC1RAB9AKMT2A

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
EP-2628481-B1 Trisubstituted heterocycles as replication inhibitors of hepatitis C virus HCV ABBVIE BAHAMAS LTD (BS) 2016-02-24 — — EP disclosed
CN-105294828-A Preparation method of Ombitasvir SUZHOU MIRACPHARMA TECHNOLOGY CO LTD 2016-02-03 — — CN disclosed
WO-2015171162-A1 ANTI-VIRAL COMPOUND ABBVIE INC. (US) 2015-11-12 — — WO disclosed
US-20150322108-A1 CRYSTALLINE POLYMORPHS ABBVIE INC. 2015-11-12 — — US disclosed
US-20150218194-A1 Anti-Viral Compounds ABBVIE INC. (US) 2015-08-06 — — US disclosed
US-9006387-B2 Anti-viral compounds ABBVIE INC. (US) 2015-04-14 — — US disclosed
EP-2853531-A2 Antiviral compounds AbbVie Bahamas Ltd. (BS) 2015-04-01 — — EP disclosed
EP-2455376-B1 Heterocyclic compounds as inhibitors of hepatitis C virus (HCV) ABBVIE BAHAMAS LTD (BS) 2014-11-26 — — EP disclosed
US-20140315792-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES 2014-10-23 — — US disclosed
EP-2337781-B1 ANTI-VIRAL COMPOUNDS TO TREAT HCV INFECTION ABBVIE BAHAMAS LTD (BS) 2014-07-23 — — EP disclosed
US-20140171481-A1 SOLID COMPOSITIONS ABBOTT GMBH & CO. KG (DE) 2014-06-19 — — US disclosed
EP-2368890-B9 Hepatitis C virus inhibitors ABBVIE BAHAMAS LTD (BS) 2013-10-30 — — EP disclosed
EP-2628481-A1 Trisubstituted heterocycles as replication inhibitors of hepatitis C virus HCV AbbVie Bahamas Ltd. (BS) 2013-08-21 — — EP disclosed
EP-2368890-B1 Hepatitis C virus inhibitors ABBVIE BAHAMAS LTD (BS) 2013-04-17 — — EP disclosed
US-20120258909-A1 Solid Compositions ABBOTT LABORATORIES (US) 2012-10-11 — — US disclosed
EP-2455376-A1 Heterocyclic compounds as inhibitors of hepatitis C virus (HCV) Abbott Laboratories (US) 2012-05-23 — — EP disclosed
EP-2368890-A1 Hepatitis C virus inhibitors Abbott Laboratories (US) 2011-09-28 — — EP disclosed
EP-2337781-A2 ANTI-VIRAL COMPOUNDS TO TREAT HCV INFECTION Abbott Laboratories (US) 2011-06-29 — — EP disclosed
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 — — US disclosed
WO-2010144646-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-12-16 — — 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 (6 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-20100317568-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885ALDH1A1 2858/4885NPC1 81/4885
US-20150322108-A1 CRYSTALLINE POLYMORPHS HLA-C, PML, HLA-B MAPT 158/4885ALDH1A1 1995/4885NPC1 26/4885
US-20120258909-A1 Solid Compositions ABCG2, SLCO1B1, SLCO1B3 MAPT 838/4885ALDH1A1 2292/4885NPC1 20/4885
US-20140171481-A1 SOLID COMPOSITIONS ABCG2, SLCO1B1, SLCO1B3 MAPT 838/4885ALDH1A1 2292/4885NPC1 20/4885
US-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS MAPT 2833/4885ALDH1A1 2858/4885NPC1 81/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885ALDH1A1 2858/4885NPC1 81/4885

“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.