SCHEMBL9964662

SCHEMBL9964662

Cc1ccc(-n2cnnn2)nc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 11/20 0.61
NOTUM Q6P988 4/20 0.47
KMT2A Q03164 1/20 0.45
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
F2 P00734 1/20 0.39
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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) KCNJ1NOTUMMAPTALDH1A1LMNA
SCHEMBL3220542 0.78 KCNJ1 (0.58) KCNJ1NOTUMKMT2AMAPTALDH1A1
SCHEMBL2598536 0.78 KCNJ1 (0.61) KCNJ1NOTUMMAPTALDH1A1F2
SCHEMBL1164007 0.78 KCNJ1 (0.58) KCNJ1NOTUMMAPTALDH1A1LMNA
SCHEMBL16897518 0.77 KCNJ1 (0.58) KCNJ1NOTUMMAPTALDH1A1LMNA
SCHEMBL16897517 0.77 KCNJ1 (0.71) KCNJ1NOTUMMAPTALDH1A1LMNA
SCHEMBL15114557 0.77 NOTUM (0.60) KCNJ1NOTUMALDH1A1
SCHEMBL18671552 0.77 KCNJ1 (0.56) KCNJ1NOTUMMAPTALDH1A1LMNA
SCHEMBL16897509 0.76 KCNJ1 (1.00) KCNJ1KMT2AALDH1A1LMNA
SCHEMBL17725711 0.76 KCNJ1 (0.58) KCNJ1NOTUMKMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3212619-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2019-11-20 EP disclosed
EP-3212618-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2019-07-10 EP disclosed
US-9850245-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-12-26 US disclosed
US-9839629-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-12-12 US disclosed
US-20170283416-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2017-10-05 US disclosed
US-20170275292-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. 2017-09-28 US disclosed
US-20170275283-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2017-09-28 US disclosed
EP-2956142-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2017-09-20 EP disclosed
US-9527830-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2016-12-27 US disclosed
US-20160324833-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2016-11-10 US disclosed
US-9206199-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-12-08 US disclosed
US-9056859-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-16 US disclosed
US-20140336177-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2014-11-13 US disclosed
US-20140256756-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA, INC. 2014-09-11 US disclosed
US-20140235628-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2014-08-21 US disclosed
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 US disclosed
US-20130184257-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA, INC. 2013-07-18 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
WO-2008108988-A1 ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (US) 2008-09-12 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 (10 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-20170275292-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 KCNJ1 2/4885NOTUM 4400/4885KMT2A 1589/4885
US-20140256756-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS GPR119, GPR139, GLP1R KCNJ1 2313/4885NOTUM 3567/4885KMT2A 2550/4885
US-20160324833-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, WNK1, KCNJ1 KCNJ1 3/4885NOTUM 4406/4885KMT2A 2242/4885
US-20170283416-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 KCNJ1 2/4885NOTUM 4287/4885KMT2A 1730/4885
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 KCNJ1 2/4885NOTUM 4541/4885KMT2A 1177/4885
US-20170275283-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 KCNJ1 2/4885NOTUM 4287/4885KMT2A 1730/4885
US-20130184257-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS GPR119, GPR139, GPR180 KCNJ1 2378/4885NOTUM 3202/4885KMT2A 2482/4885
US-20140336177-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 KCNJ1 2/4885NOTUM 4002/4885KMT2A 1717/4885
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections NISCH, NOD1, NQO1 KCNJ1 1196/4885NOTUM 2955/4885KMT2A 4376/4885
US-20140235628-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 KCNJ1 2/4885NOTUM 4448/4885KMT2A 1319/4885

“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.