SCHEMBL334399

SCHEMBL334399

CC(=O)c1ccc(-n2cnnn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 4/20 1.00
RXFP1 Q9HBX9 1/20 0.75
L3MBTL1 Q9Y468 1/20 0.68
MAPT P10636 2/20 0.61
ALDH1A1 P00352 5/20 0.59
HPGD P15428 3/20 0.58
RAB9A P51151 1/20 0.56
NOTUM Q6P988 2/20 0.56
F2 P00734 1/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL1072252 0.83 KCNJ1 (0.71) KCNJ1RXFP1MAPTALDH1A1HPGD
SCHEMBL3328195 0.83 KCNJ1 (0.71) KCNJ1RXFP1MAPTALDH1A1HPGD
SCHEMBL12615985 0.82 NOTUM (0.78) KCNJ1MAPTALDH1A1HPGDRAB9A
SCHEMBL470312 0.81 KCNJ1 (0.69) KCNJ1RXFP1MAPTALDH1A1HPGD
SCHEMBL65798 0.81 TP53 (0.68) KCNJ1RXFP1MAPTALDH1A1HPGD
SCHEMBL11967107 0.81 KCNJ1 (0.68) KCNJ1RXFP1MAPTALDH1A1HPGD
SCHEMBL11955150 0.81 KCNJ1 (0.68) KCNJ1RXFP1L3MBTL1MAPTALDH1A1
Acetic Acid SCHEMBL11831236 0.81 KCNJ1 (0.68) KCNJ1RXFP1L3MBTL1MAPTALDH1A1
SCHEMBL11828798 0.81 KCNJ1 (0.68) KCNJ1RXFP1L3MBTL1MAPTALDH1A1
SCHEMBL9518785 0.80 KCNJ1 (0.66) KCNJ1RXFP1L3MBTL1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-RE48334-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-01 US disclosed
EP-3092230-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2018-07-11 EP disclosed
US-9718808-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-08-01 US disclosed
US-9718808-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-08-01 US disclosed
US-20170037037-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2017-02-09 US disclosed
US-20170037037-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2017-02-09 US disclosed
EP-2490692-B1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2016-11-16 EP disclosed
WO-2015105736-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2015-07-16 WO disclosed
US-8895580-B2 Quinolinone-pyrazolone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-11-25 US disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
US-7468437-B2 Phenyl pyrrolidine ether tachykinin receptor antagonists MERCK & CO., INC. (US) 2008-12-23 US disclosed
EP-1985620-A1 10a-AZALIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-10-29 EP disclosed
US-20070043015-A1 Phenyl pyrrolidine ether tachykinin receptor antagonists MERCK & CO., INC. (US) 2007-02-22 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 (4 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-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME NTSR2, BDKRB1, AVPR1B KCNJ1 1582/4885RXFP1 73/4885L3MBTL1 1003/4885
US-20070043015-A1 Phenyl pyrrolidine ether tachykinin receptor antagonists TACR1, NPSR1, TACR2 KCNJ1 218/4885RXFP1 209/4885L3MBTL1 4113/4885
US-20170037037-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 KCNJ1 2/4885RXFP1 376/4885L3MBTL1 3641/4885
US-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 KCNJ1 2657/4885RXFP1 1599/4885L3MBTL1 2853/4885

“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.