SCHEMBL16232247

SCHEMBL16232247

O=COCc1cnc(-n2cnnn2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 16/20 0.38
GPR119 Q8TDV5 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.31
BLM P54132 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL19381199 0.83 GPR119 (0.43) KCNJ1GPR119
SCHEMBL15017712 0.76 KCNJ1 (0.43) KCNJ1GPR119NPC1RAB9A
SCHEMBL15018288 0.72 KCNJ1 (0.41) KCNJ1GPR119
SCHEMBL18213684 0.71 KCNJ1 (0.58) KCNJ1RAB9APOLBBLMTDP1
SCHEMBL16545843 0.67 GRM5 (0.32)
SCHEMBL15196742 0.67 KCNJ1 (0.44) KCNJ1
SCHEMBL16232245 0.67 NOTUM (0.44) KCNJ1POLBBLMTDP1
SCHEMBL16232249 0.64 KCNJ1 (0.36) KCNJ1
SCHEMBL17470890 0.64 KCNJ1 (0.40) KCNJ1
SCHEMBL17470891 0.64 KCNJ1 (0.40) KCNJ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9839629-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-12-12 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-20140336177-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2014-11-13 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 (2 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-20160324833-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, WNK1, KCNJ1 KCNJ1 3/4885GPR119 1029/4885NPC1 423/4885
US-20140336177-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 KCNJ1 2/4885GPR119 865/4885NPC1 477/4885

“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.