SCHEMBL2683531

SCHEMBL2683531

Brc1ccc(-c2c[nH]c(C3CCCN3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.40
PIM1 P11309 2/20 0.40
CSNK2B P67870 2/20 0.40
CSNK2A1 P68400 2/20 0.40
SCN10A Q9Y5Y9 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
NR1H4 Q96RI1 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
RAB9A P51151 2/20 0.34
PARP1 P09874 2/20 0.34
MAPT P10636 3/20 0.33
NPC1 O15118 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL1981541 1.00 CDC7 (0.40) CDC7PIM1CSNK2BCSNK2A1SCN10A
Hydrochloric Acid SCHEMBL2681922 0.99 CDC7 (0.39) CDC7PIM1CSNK2BCSNK2A1SCN10A
SCHEMBL2449055 0.99 CDC7 (0.39) CDC7PIM1CSNK2BCSNK2A1SCN10A
SCHEMBL2449053 0.99 CDC7 (0.39) CDC7PIM1CSNK2BCSNK2A1SCN10A
Hydrochloric Acid SCHEMBL2681924 0.99 CDC7 (0.39) CDC7PIM1CSNK2BCSNK2A1SCN10A
Hydrochloric Acid SCHEMBL2449082 0.97 CDC7 (0.38) CDC7PIM1CSNK2BCSNK2A1SCN10A
Hydrochloric Acid SCHEMBL2449080 0.97 CDC7 (0.38) CDC7PIM1CSNK2BCSNK2A1SCN10A
SCHEMBL10177443 0.93 CHRNB2 (0.39) SCN10ACHRNB2CHRNA7CHRNA4MKNK1
SCHEMBL882749 0.91 CHRNB2 (0.38) SCN10ACHRNB2CHRNA7CHRNA4MKNK1
SCHEMBL15105935 0.91 CHRNB2 (0.38) SCN10ACHRNB2CHRNA7CHRNA4MKNK1

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-2850075-B1 PIPERAZINE-PIPERIDINE COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2017-02-22 EP disclosed
EP-2850075-B1 PIPERAZINE-PIPERIDINE COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2017-02-22 EP disclosed
US-9365549-B2 Hepatitis C virus inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-06-14 US disclosed
US-9260414-B2 Inhibitors of hepatitic C virus THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-02-16 US disclosed
US-9206159-B2 Piperazine-piperidine compounds as hepatitis C virus inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-08 US disclosed
US-20150252023-A1 HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-09-10 US disclosed
EP-2635571-B1 NOVEL INHIBITORS OF HEPATITIS C VIRUS THERAVANCE BIOPHARMA R & D IP LLC (US) 2015-08-12 EP disclosed
US-9066944-B2 Hepatitis C virus inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-06-30 US disclosed
US-20150071878-A1 NOVEL INHIBITORS OF HEPATITIC C VIRUS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-03-12 US disclosed
US-8921372-B2 Inhibitors of hepatitis C virus THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-12-30 US disclosed
US-20130287731-A1 HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC 2013-10-31 US disclosed
US-20130287730-A1 PIPERAZINE-PIPERIDINE COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC 2013-10-31 US disclosed
US-20120114600-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS THERAVANCE, INC. (US) 2012-05-10 US disclosed
WO-2012048421-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 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 (5 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-20130287730-A1 PIPERAZINE-PIPERIDINE COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ZC3HAV1, ITPA, HAVCR2 CDC7 2008/4885PIM1 941/4885CSNK2B 2906/4885
US-20130287731-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, HCCS CDC7 589/4885PIM1 3181/4885CSNK2B 1109/4885
US-20150071878-A1 NOVEL INHIBITORS OF HEPATITIC C VIRUS HAVCR2, SLC10A1, HDGF CDC7 365/4885PIM1 2884/4885CSNK2B 1223/4885
US-20150252023-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, HCCS CDC7 589/4885PIM1 3181/4885CSNK2B 1109/4885
US-20120114600-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, ZC3HAV1 CDC7 490/4885PIM1 2327/4885CSNK2B 462/4885

“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.