SCHEMBL240826

SCHEMBL240826

Nc1ccc(-c2ccnc(F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.48
ADORA2B P29275 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 2/20 0.46
CYP3A4 P08684 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
IDO1 P14902 1/20 0.44
KIF11 P52732 1/20 0.44
MAPT P10636 3/20 0.44
MAP4K4 O95819 3/20 0.44
MINK1 Q8N4C8 3/20 0.44
TNIK Q9UKE5 3/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
ADORA2A P29274 2/20 0.43
PRKCZ Q05513 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL22068158 0.84 IDO1 (0.55) ADORA2BIDO1MAPTMAP4K4MINK1
SCHEMBL4060221 0.79 MAP4K4 (0.46) ADORA2BIDO1MAPTMAP4K4MINK1
SCHEMBL28480049 0.79 ESR2 (0.48) ADORA2BIDO1KIF11MAPTMEN1
SCHEMBL19759543 0.79 ROCK2 (0.44) IDO1MAPTMAP4K4MINK1TNIK
SCHEMBL21333215 0.78 NOTUM (0.48) ADORA2BALDH1A1IDO1MAPTMAP4K4
SCHEMBL31472663 0.78 NOTUM (0.48) ADORA2BALDH1A1IDO1MAPTMAP4K4
SCHEMBL15649966 0.78 DYRK1A (0.63) TAAR1ALDH1A1TP53CYP3A4TDP1
SCHEMBL18034740 0.77 IDO1 (0.51) ADORA2BIDO1MAPTMAP4K4MINK1
SCHEMBL7088779 0.77 ADORA2B (0.49) ADORA2BIDO1MAPTMAP4K4MINK1
SCHEMBL28427582 0.77 ASIC3 (0.53) TAAR1ALDH1A1TP53CYP3A4TDP1

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 23 patents — showing the first 20. 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
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
EP-2678334-A1 ANTI-VIRAL COMPOUNDS Abbvie Inc. (US) 2014-01-01 EP disclosed
EP-2627651-A1 ANTI-VIRAL COMPOUNDS Abbvie Inc. (US) 2013-08-21 EP 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 (10 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 TAAR1 4696/4885ADORA2B 4056/4885ALDH1A1 2858/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TAAR1 4696/4885ADORA2B 4056/4885ALDH1A1 2858/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TAAR1 4696/4885ADORA2B 4056/4885ALDH1A1 2858/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TAAR1 4696/4885ADORA2B 4056/4885ALDH1A1 2858/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TAAR1 4696/4885ADORA2B 4056/4885ALDH1A1 2858/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TAAR1 4696/4885ADORA2B 4056/4885ALDH1A1 2858/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TAAR1 4696/4885ADORA2B 4056/4885ALDH1A1 2858/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TAAR1 4696/4885ADORA2B 4056/4885ALDH1A1 2858/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TAAR1 4696/4885ADORA2B 4056/4885ALDH1A1 2858/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS TAAR1 4696/4885ADORA2B 4056/4885ALDH1A1 2858/4885

“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.