SCHEMBL1982165

SCHEMBL1982165

Nc1ccc([C@@H]2CC[C@@H](c3ccc(N)cc3)N2c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.47
HTR2C P28335 3/20 0.40
PRKCZ Q05513 2/20 0.40
NOTUM Q6P988 1/20 0.39
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MAOB P27338 2/20 0.37
DHFR P00374 1/20 0.37
PTGS1 P23219 2/20 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
SCHEMBL1983143 1.00 KIF11 (0.47) KIF11HTR2CPRKCZNOTUMCA12
SCHEMBL1982310 0.84 CYP3A4 (0.41) HTR2CPRKCZNOTUMCA12CA2
SCHEMBL1989823 0.84 MAPT (0.43) PRKCZCYP3A4
SCHEMBL1983109 0.84 CYP3A4 (0.41) HTR2CPRKCZNOTUMCA12CA2
SCHEMBL6127410 0.84 NOTUM (0.42) HTR2CPRKCZNOTUMCA12CA2
SCHEMBL6123402 0.84 CYP3A4 (0.41) HTR2CPRKCZNOTUMCA12CA2
SCHEMBL14856415 0.84 MAPT (0.43) PRKCZCYP3A4
SCHEMBL1988497 0.84 CYP3A4 (0.41) HTR2CPRKCZNOTUMCA12CA2
SCHEMBL1989751 0.84 MAPT (0.43) PRKCZCYP3A4
SCHEMBL1982943 0.82 TSHR (0.45) KIF11HTR2CNOTUMCA12CA2

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 13 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-2628481-A1 Trisubstituted heterocycles as replication inhibitors of hepatitis C virus HCV AbbVie Bahamas Ltd. (BS) 2013-08-21 EP 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 (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 KIF11 3591/4885HTR2C 4364/4885PRKCZ 3226/4885
US-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS KIF11 3591/4885HTR2C 4364/4885PRKCZ 3226/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KIF11 3591/4885HTR2C 4364/4885PRKCZ 3226/4885

“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.