SCHEMBL239073

SCHEMBL239073

CC(C)(C)Nc1ccc(N)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.35
ALDH1A1 P00352 5/20 0.34
MAPT P10636 4/20 0.34
TDP1 Q9NUW8 3/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.34
GFER P55789 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALOX15 P16050 2/20 0.33
CCNE2 O96020 2/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
THRB P10828 1/20 0.33
LATS1 O95835 1/20 0.33
LATS2 Q9NRM7 1/20 0.33
ADRA2B P18089 1/20 0.33
GAA P10253 4/20 0.32
POLB P06746 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
SCHEMBL9024796 0.82 LATS1 (0.39) ALDH1A1MAPTTDP1LMNAMAPK1
SCHEMBL12403858 0.79 HTT (0.46) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL12883442 0.78 RAPGEF4 (0.39) IDO1MAPK1KDM4EMEN1KMT2A
SCHEMBL5515933 0.77 PRKCI (0.37) ALDH1A1MAPTTDP1LMNAMAPK1
SCHEMBL1662774 0.76 MAPK14 (0.41) ALDH1A1MAPTTDP1LMNAMAPK1
SCHEMBL12883439 0.76 LMNA (0.42) ALDH1A1MAPTLMNAKDM4EMEN1
SCHEMBL12883490 0.76 KMT2A (0.44) ALDH1A1MAPTTDP1LMNAMEN1
SCHEMBL21779243 0.76 MAP2K1 (0.43) IDO1
SCHEMBL19194233 0.76 GAA (0.43) IDO1ALDH1A1MAPTTDP1LMNA
SCHEMBL9750979 0.73 ALDH1A1 (0.48) ALDH1A1MAPTLMNAKDM4EMEN1

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 19 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-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-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-20170157105-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-2692346-A1 An antiviral 1-phenyl-2,5-dibenzimidazol-5-yl-pyrrolidine derivative Abbvie Inc. (US) 2014-02-05 EP disclosed
EP-2692726-A1 Anti-viral compounds 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 (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 IDO1 2992/4885ALDH1A1 2858/4885MAPT 2833/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS IDO1 2992/4885ALDH1A1 2858/4885MAPT 2833/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS IDO1 2992/4885ALDH1A1 2858/4885MAPT 2833/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS IDO1 2992/4885ALDH1A1 2858/4885MAPT 2833/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS IDO1 2992/4885ALDH1A1 2858/4885MAPT 2833/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS IDO1 2992/4885ALDH1A1 2858/4885MAPT 2833/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS IDO1 2992/4885ALDH1A1 2858/4885MAPT 2833/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS IDO1 2992/4885ALDH1A1 2858/4885MAPT 2833/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS IDO1 2992/4885ALDH1A1 2858/4885MAPT 2833/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS IDO1 2992/4885ALDH1A1 2858/4885MAPT 2833/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS IDO1 2992/4885ALDH1A1 2858/4885MAPT 2833/4885

“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.