SCHEMBL14915403

SCHEMBL14915403

CC1CC(c2nc(-c3ccc(Br)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.38
BCR P11274 2/20 0.38
KCNK3 O14649 3/20 0.38
KCNK9 Q9NPC2 3/20 0.38
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
KMT2A Q03164 2/20 0.35
USP30 Q70CQ3 2/20 0.35
HTT P42858 1/20 0.34
UCHL1 P09936 1/20 0.34
RORC P51449 2/20 0.34
PARP1 P09874 1/20 0.33
SETD7 Q8WTS6 1/20 0.33
AURKA O14965 1/20 0.33
PDPK1 O15530 1/20 0.33
AURKB Q96GD4 1/20 0.33
HSD11B1 P28845 1/20 0.33
CYP2C9 P11712 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 1/20 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
SCHEMBL14914689 1.00 ABL1 (0.38) ABL1BCRKCNK3KCNK9NR1H2
SCHEMBL15773761 1.00 ABL1 (0.38) ABL1BCRKCNK3KCNK9NR1H2
SCHEMBL2449358 0.99 ABL1 (0.38) ABL1BCRKCNK3KCNK9NR1H2
SCHEMBL17249890 0.92 USP30 (0.36) ABL1BCRKCNK3KCNK9NR1H2
SCHEMBL17973122 0.91 CYP1A2 (0.36) KMT2AHTTUCHL1PARP1SETD7
SCHEMBL17973121 0.91 CYP1A2 (0.36) KMT2AHTTUCHL1PARP1SETD7
SCHEMBL14844685 0.90 UCHL1 (0.34) ABL1BCRUSP30HTTUCHL1
SCHEMBL14844683 0.90 UCHL1 (0.34) ABL1BCRUSP30HTTUCHL1
SCHEMBL14844703 0.90 UCHL1 (0.34) ABL1BCRUSP30HTTUCHL1
SCHEMBL1293926 0.89 HTT (0.38) NR1H2NR1H3KMT2AUSP30HTT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773634-B1 ROD-LIKE HEPATITIS C VIRUS INHIBITORS CONTAINING THE FRAGEMENT {2-[4-(BIPHENYL-4-YL)-1H-IMIDAZO-2-YL]PYRROLIDINE-1-CARBONLYMETHYL}AMINE THERAVANCE BIOPHARMA R&D IP LLC (US) 2018-06-06 EP disclosed
US-9669027-B2 Hepatitis C virus inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-06-06 US disclosed
WO-2017015439-A1 CRYSTALLINE FORM OF A HEPATITIS C VIRUS INHIBITOR THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-01-26 WO disclosed
US-20160038483-A1 HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-02-11 US disclosed
US-9212168-B2 Hepatitis C virus inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-15 US disclosed
EP-2850075-A1 PIPERAZINE-PIPERIDINE COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS Theravance Biopharma R&D IP, LLC (US) 2015-03-25 EP disclosed
EP-2773634-A1 ROD -LIKE HEPATITIS C VIRUS INHIBITORS CONTAINING THE FRAGEMENT {2- [4- (BI PHENYL - 4 - YL) - 1H - IMIDAZO - 2 - YL]PYRROLIDINE - 1 - CARBONLYMETHYL} AMINE Theravance, Inc. (US) 2014-09-10 EP disclosed
WO-2013163262-A1 PIPERAZINE-PIPERIDINE COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS THERAVANCE, INC. (US) 2013-10-31 WO disclosed
WO-2013067267-A1 ROD -LIKE HEPATITIS C VIRUS INHIBITORS CONTAINING THE FRAGEMENT {2- [4- (BI PHENYL - 4 - YL) - 1H - IMIDAZO - 2 - YL] PYRROLIDINE - 1 - CARBONLYMETHYL} AMINE THERAVANCE, INC. (US) 2013-05-10 WO disclosed
US-20130115194-A1 HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC 2013-05-09 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 (2 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-20130115194-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, HDGF ABL1 40/4885BCR 3807/4885KCNK3 4398/4885
US-20160038483-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, HDGF ABL1 40/4885BCR 3807/4885KCNK3 4398/4885

“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.