SCHEMBL1982943

SCHEMBL1982943

Nc1cccc([C@H]2CC[C@H](c3cccc(N)c3)N2c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
PTGS1 P23219 3/20 0.42
HTR1A P08908 1/20 0.36
HTR2C P28335 3/20 0.36
GCK P35557 1/20 0.36
NOTUM Q6P988 1/20 0.36
SLC6A9 P48067 1/20 0.35
KIF11 P52732 1/20 0.35
PNMT P11086 1/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL1984253 0.84 MAPT (0.42) TSHRMAPK1ALDH1A1
SCHEMBL1983143 0.82 KIF11 (0.47) PTGS1HTR2CNOTUMKIF11CA12
SCHEMBL1982165 0.82 KIF11 (0.47) PTGS1HTR2CNOTUMKIF11CA12
SCHEMBL1984118 0.78 LMNA (0.45) TSHRSLC6A9ALDH1A1
SCHEMBL1983109 0.73 CYP3A4 (0.41) TSHRMAPK1HTR2CNOTUMCA12
SCHEMBL6123402 0.73 CYP3A4 (0.41) TSHRMAPK1HTR2CNOTUMCA12
SCHEMBL1982310 0.73 CYP3A4 (0.41) TSHRMAPK1HTR2CNOTUMCA12
SCHEMBL6127410 0.73 NOTUM (0.42) HTR2CNOTUMSLC6A9CA12CA2
SCHEMBL1988497 0.73 CYP3A4 (0.41) TSHRMAPK1HTR2CNOTUMCA12
SCHEMBL14856415 0.67 MAPT (0.43) MAPK1ALDH1A1

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 14 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
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
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
EP-2455376-A1 Heterocyclic compounds as inhibitors of hepatitis C virus (HCV) Abbott Laboratories (US) 2012-05-23 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 (3 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 TSHR 4834/4885MAPK1 2093/4885PTGS1 1687/4885
US-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS TSHR 4834/4885MAPK1 2093/4885PTGS1 1687/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TSHR 4834/4885MAPK1 2093/4885PTGS1 1687/4885

“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.