SCHEMBL3220542

SCHEMBL3220542

Brc1ccc(-n2cnnn2)nc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 10/20 0.58
NOTUM Q6P988 4/20 0.41
MAPT P10636 2/20 0.39
F2 P00734 1/20 0.39
RAB9A P51151 1/20 0.38
ATF4 P18848 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 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
SCHEMBL14069481 0.78 KCNJ1 (0.58) KCNJ1NOTUMMAPTF2ALDH1A1
SCHEMBL9964662 0.78 KCNJ1 (0.61) KCNJ1NOTUMMAPTF2KMT2A
SCHEMBL1164007 0.78 KCNJ1 (0.58) KCNJ1NOTUMMAPTF2GRIN2D
SCHEMBL2598536 0.78 KCNJ1 (0.61) KCNJ1NOTUMMAPTF2ALDH1A1
SCHEMBL16101673 0.76 KCNJ1 (0.57) KCNJ1NOTUMMAPTF2ALDH1A1
SCHEMBL1556693 0.74 NOTUM (0.39) NOTUMGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18671552 0.74 KCNJ1 (0.56) KCNJ1NOTUMMAPTF2RAB9A
SCHEMBL1461663 0.74 KCNJ1 (0.54) KCNJ1NOTUMMAPTF2ALDH1A1
SCHEMBL15114557 0.74 NOTUM (0.60) KCNJ1NOTUMALDH1A1
SCHEMBL16906598 0.74 KCNJ1 (1.00) KCNJ1NOTUMMAPTF2ALDH1A1

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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3255993-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2021-01-27 EP disclosed
EP-3212619-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2019-11-20 EP disclosed
EP-3250204-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2019-10-30 EP disclosed
EP-3212618-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2019-07-10 EP disclosed
EP-2773199-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2019-04-10 EP disclosed
US-10160751-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. 2018-12-25 US disclosed
EP-3087077-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2018-10-31 EP disclosed
EP-3092230-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2018-07-11 EP disclosed
EP-2968288-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2018-07-04 EP disclosed
US-20180016263-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2018-01-18 US disclosed
WO-2013066714-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-05-10 WO disclosed
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 US disclosed
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 US disclosed
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 US disclosed
CN-101679454-A Antimicrobial heterocyclic compounds for treatment of bacterial infections MICURX PHARMACEUTICALS INC 2010-03-24 CN disclosed
US-20100069441-A1 ANTIMICROBIAL INDOLINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS GORDEEV MIKHAIL FEDOROVICH 2010-03-18 US disclosed
EP-2134721-A1 ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS Micurx Pharmaceuticals, Inc. (US) 2009-12-23 EP disclosed
WO-2008108988-A1 ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (US) 2008-09-12 WO disclosed
US-6689779-B2 PYRIDINE OR PYRIMIDINE SUBSTITUTED; ANTIBACTERIAL ACTIVITY; LOW TOXICITY DONG A PHARM. CO., LTD. (KR) 2004-02-10 US disclosed
US-20030166620-A1 Novel oxazolidinone derivatives and a process for the preparation thereof DONG A PHARM. CO., LTD. (KR) 2003-09-04 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 (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-20030166620-A1 Novel oxazolidinone derivatives and a process for the preparation thereof OXA1L, ODC1, PDCD4 KCNJ1 1262/4885NOTUM 3221/4885MAPT 3873/4885
US-10160751-B2 Inhibitors of the renal outer medullary potassium channel KCNJ11, KCNJ1, SLC9A1 KCNJ1 2/4885NOTUM 4300/4885MAPT 4238/4885
US-20100069441-A1 ANTIMICROBIAL INDOLINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS IDO1, IDO2, INMT KCNJ1 1795/4885NOTUM 3300/4885MAPT 1218/4885
US-20180016263-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, SLC9A1 KCNJ1 2/4885NOTUM 4300/4885MAPT 4238/4885
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections NISCH, NOD1, NQO1 KCNJ1 1196/4885NOTUM 2955/4885MAPT 3991/4885

“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.