SCHEMBL16232248

SCHEMBL16232248

Cc1nc(-n2cnnn2)nc(C)c1COC=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 13/20 0.42
NOTUM Q6P988 1/20 0.35
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.32

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
SCHEMBL15196768 0.74 KCNJ1 (0.48) KCNJ1
SCHEMBL18213684 0.69 KCNJ1 (0.58) KCNJ1NOTUMALDH1A1MAPTLMNA
SCHEMBL16232249 0.68 KCNJ1 (0.36) KCNJ1NOTUM
SCHEMBL2289284 0.68 NOTUM (0.52) KCNJ1NOTUMALDH1A1KDM4EHSD17B10
SCHEMBL15196742 0.68 KCNJ1 (0.44) KCNJ1NOTUMALDH1A1HPGDMAPT
SCHEMBL12379775 0.67 NOTUM (0.53) KCNJ1NOTUMALDH1A1MAPTLMNA
SCHEMBL12379777 0.67 NOTUM (0.53) KCNJ1NOTUMALDH1A1MAPTLMNA
SCHEMBL19381056 0.66 KCNJ1 (0.39) KCNJ1NOTUMALDH1A1KDM4EHPGD
SCHEMBL12379764 0.63 ALDH1A1 (0.42) KCNJ1NOTUMALDH1A1KDM4EHPGD
SCHEMBL12379767 0.63 ALDH1A1 (0.42) KCNJ1NOTUMALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20140336177-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 KCNJ1 2/4885NOTUM 4002/4885ALDH1A1 1861/4885

“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.