SCHEMBL244351

SCHEMBL244351

Cc1cc(C)n(-c2nc(N(c3ccc(F)cc3)c3ccc(F)c(F)c3)c3ncn(C)c3n2)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 4/20 0.50
KCNN2 Q9H2S1 1/20 0.50
POLB P06746 2/20 0.43
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40
XBP1 P17861 1/20 0.40
NTSR1 P30989 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK14 Q16539 5/20 0.40
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL244038 0.76 KCNN3 (0.77) KCNN3KCNN2POLBNPSR1MAPK1
SCHEMBL183069 0.75 KCNN3 (0.80) KCNN3KCNN2POLBNPSR1MAPK1
SCHEMBL2521840 0.72 KCNN2 (0.55) KCNN3KCNN2MAPTL3MBTL1NPSR1
SCHEMBL21357700 0.70 KCNN2 (0.59) KCNN3KCNN2POLBMAPTL3MBTL1
SCHEMBL2517763 0.70 KCNN3 (0.54) KCNN3KCNN2MAPTL3MBTL1NPSR1
SCHEMBL2516946 0.68 KCNN3 (0.51) KCNN3KCNN2MAPTL3MBTL1NPSR1
SCHEMBL2519463 0.68 KCNN3 (0.51) KCNN3KCNN2MAPTL3MBTL1NPSR1
SCHEMBL183176 0.67 KCNN3 (1.00) KCNN3KCNN2POLBMAPTL3MBTL1
SCHEMBL30421528 0.67 KCNN3 (1.00) KCNN3KCNN2POLBMAPTL3MBTL1
SCHEMBL182996 0.66 KCNN3 (0.80) KCNN3KCNN2POLBMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004246-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2012-01-05 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-20120004246-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ5, KCNJ3 KCNN3 15/4885KCNN2 5/4885POLB 4405/4885

“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.