SCHEMBL1663879

SCHEMBL1663879

O=Cc1ccc(-n2cnnn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 4/20 1.00
NOTUM Q6P988 4/20 0.60
MAPT P10636 2/20 0.60
F2 P00734 1/20 0.60
ALDH1A1 P00352 5/20 0.55
HTT P42858 2/20 0.55
LMNA P02545 1/20 0.55
KDM4E B2RXH2 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPK1 P28482 1/20 0.50
HPGD P15428 1/20 0.49
POLB P06746 1/20 0.49
BLM P54132 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL12615985 0.85 NOTUM (0.78) KCNJ1NOTUMMAPTF2ALDH1A1
SCHEMBL18472557 0.82 KCNJ1 (0.70) KCNJ1NOTUMMAPTF2ALDH1A1
SCHEMBL4551302 0.80 KCNJ1 (0.67) KCNJ1NOTUMLMNASMN1; SMN2KMT2A
SCHEMBL14233188 0.79 KCNJ1 (0.66) KCNJ1NOTUMMAPTF2ALDH1A1
SCHEMBL8485436 0.79 KCNJ1 (0.66) KCNJ1NOTUMMAPTF2ALDH1A1
SCHEMBL16906598 0.77 KCNJ1 (1.00) KCNJ1NOTUMMAPTF2ALDH1A1
SCHEMBL18472559 0.77 KCNJ1 (1.00) KCNJ1NOTUMMAPTF2ALDH1A1
SCHEMBL311636 0.75 MAPT (1.00) KCNJ1NOTUMMAPTF2ALDH1A1
SCHEMBL1163779 0.75 NOTUM (0.64) KCNJ1NOTUMMAPTF2ALDH1A1
SCHEMBL11831417 0.75 NOTUM (0.64) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-3092230-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2018-07-11 EP 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-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 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
US-9144557-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2015-09-29 US disclosed
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-09-10 US disclosed
WO-2015105736-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2015-07-16 WO disclosed
US-20140309226-A1 PIPERIDINYL-SUBSTITUTED CYCLIC UREAS AS GPR119 MODULATORS ARRAY BIOPHARMA, INC. 2014-10-16 US disclosed
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
EP-2642994-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS Ligand Pharmaceuticals Incorporated (US) 2013-10-02 EP disclosed
WO-2013074641-A1 PIPERIDINYL- SUBSTITUTED CYCLIC UREAS AS GPR119 MODULATORS ARRAY BIOPHARMA INC. (US) 2013-05-23 WO disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 US disclosed
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 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-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS HGF, EPOR, MPL KCNJ1 4849/4885NOTUM 4778/4885MAPT 4622/4885
US-20140309226-A1 PIPERIDINYL-SUBSTITUTED CYCLIC UREAS AS GPR119 MODULATORS GPR119, UTS2R, GPR139 KCNJ1 1341/4885NOTUM 4199/4885MAPT 4748/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF KCNJ1 4331/4885NOTUM 4882/4885MAPT 4411/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF KCNJ1 4331/4885NOTUM 4882/4885MAPT 4411/4885
US-20170037037-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 KCNJ1 2/4885NOTUM 4235/4885MAPT 4209/4885

“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.