SCHEMBL16897447

SCHEMBL16897447

c1ccc2c(c1)Cn1nnnc1-2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 5/20 0.55
SMN1; SMN2 Q16637 7/20 0.50
ALDH1A1 P00352 5/20 0.50
TSHR P16473 2/20 0.47
LMNA P02545 4/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
TP53 P04637 4/20 0.44
POLB P06746 4/20 0.44
MAPT P10636 4/20 0.44
PKM P14618 3/20 0.44
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 2/20 0.40
THRB P10828 1/20 0.40
MAP3K5 Q99683 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
SCHEMBL16906543 0.77 KCNJ1 (0.63) KCNJ1SMN1; SMN2ALDH1A1TSHRLMNA
SCHEMBL16897501 0.75 KCNJ1 (0.58) KCNJ1
SCHEMBL17444468 0.73 KCNJ1 (0.52) KCNJ1
SCHEMBL17444473 0.73 KCNJ1 (0.52) KCNJ1
SCHEMBL18429912 0.73 KCNJ1 (0.41) KCNJ1SMN1; SMN2ALDH1A1TSHRLMNA
SCHEMBL16906539 0.72 KCNJ1 (0.69) KCNJ1ALDH1A1TSHRNPC1RAB9A
SCHEMBL10961637 0.72 BRD4 (0.45) KCNJ1SMN1; SMN2ALDH1A1TSHRLMNA
SCHEMBL16897580 0.72 KCNJ1 (0.57) KCNJ1
SCHEMBL20367556 0.72 KCNJ1 (0.55) KCNJ1
SCHEMBL10958686 0.72 KCNJ1 (0.40) KCNJ1SMN1; SMN2ALDH1A1HTTPOLB

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
EP-3092230-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2018-07-11 EP claimed
US-9718808-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-08-01 US claimed
US-20170037037-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2017-02-09 US claimed
EP-3092230-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2016-11-16 EP claimed
WO-2015105736-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2015-07-16 WO claimed
WO-2015103756-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2015-07-16 WO claimed
EP-3169672-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2020-04-29 EP disclosed
US-10208064-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. 2019-02-19 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-20170197989-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2017-07-13 US disclosed
EP-3169672-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2017-05-24 EP disclosed
US-20170037037-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2017-02-09 US disclosed
EP-3092230-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2016-11-16 EP disclosed
WO-2016008064-A1 INHIBITORS OF RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2016-01-21 WO disclosed
WO-2016010802-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2016-01-21 WO disclosed
WO-2015103756-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2015-07-16 WO disclosed
WO-2015105736-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2015-07-16 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 (3 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-10208064-B2 Inhibitors of the renal outer medullary potassium channel KCNJ11, KCNJ1, KCNJ2 KCNJ1 2/4885SMN1; SMN2 1921/4885ALDH1A1 1580/4885
US-20170197989-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 KCNJ1 2/4885SMN1; SMN2 1921/4885ALDH1A1 1580/4885
US-20170037037-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 KCNJ1 2/4885SMN1; SMN2 1921/4885ALDH1A1 1580/4885

“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.