SCHEMBL183538

SCHEMBL183538

Cc1cc(C)n(-c2nc(Nc3ccc([N+](=O)[O-])cc3)c3ncn(C)c3n2)n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 2/20 0.73
KCNN2 Q9H2S1 1/20 0.73
MAPT P10636 4/20 0.48
BCL6 P41182 1/20 0.43
ADORA2A P29274 1/20 0.43
TP53 P04637 2/20 0.42
NPSR1 Q6W5P4 5/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.41
MAPK1 P28482 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40
XBP1 P17861 1/20 0.39
RAB9A P51151 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
SCHEMBL183151 0.85 KCNN3 (0.82) KCNN3KCNN2MAPTBCL6TP53
SCHEMBL183385 0.84 KCNN3 (0.80) KCNN3KCNN2BCL6TP53NPSR1
SCHEMBL30421528 0.84 KCNN3 (1.00) KCNN3KCNN2MAPTBCL6TP53
SCHEMBL183069 0.84 KCNN3 (0.80) KCNN3KCNN2BCL6TP53NPSR1
SCHEMBL183176 0.84 KCNN3 (1.00) KCNN3KCNN2MAPTBCL6TP53
SCHEMBL182996 0.84 KCNN3 (0.80) KCNN3KCNN2MAPTBCL6ADORA2A
SCHEMBL13363589 0.84 KCNN3 (0.76) KCNN3KCNN2MAPTBCL6TP53
SCHEMBL183629 0.83 KCNN3 (0.78) KCNN3KCNN2BCL6ADORA2ATP53
SCHEMBL183257 0.82 KCNN3 (0.76) KCNN3KCNN2MAPTBCL6ADORA2A
SCHEMBL183344 0.82 KCNN3 (0.76) KCNN3KCNN2MAPTBCL6TP53

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142546-B1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS SANIONA AS (DK) 2017-06-07 EP claimed
CN-101646669-B Purinyl derivatives and their use as potassium channel modulators NEUROSEARCH AS 2013-09-04 CN claimed
EP-2402341-A2 Purinyl derivatives and their use as potassium channel modulators NeuroSearch A/S (DK) 2012-01-04 EP claimed
US-20100120797-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-05-13 US claimed
CN-101646669-A Purinyl derivatives and their use as potassium channel modulators NEUROSEARCH AS DK 2010-02-10 CN claimed
EP-2402341-B1 Purinyl derivatives and their use as potassium channel modulators SANIONA AS (DK) 2017-10-25 EP disclosed
EP-2402341-B1 Purinyl derivatives and their use as potassium channel modulators SANIONA AS (DK) 2017-10-25 EP disclosed
EP-2142546-B1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS SANIONA AS (DK) 2017-06-07 EP disclosed
EP-2142546-B1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS SANIONA AS (DK) 2017-06-07 EP disclosed
US-9340544-B2 Purinyl derivatives and their use as potassium channel modulators ATAXION, INC. (US) 2016-05-17 US disclosed
US-9340544-B2 Purinyl derivatives and their use as potassium channel modulators ATAXION, INC. (US) 2016-05-17 US disclosed
US-9340544-B2 Purinyl derivatives and their use as potassium channel modulators ATAXION, INC. (US) 2016-05-17 US disclosed
US-8362024-B2 Purinyl derivatives and their use as potassium channel modulators NEUROSEARCH A/S (DK) 2013-01-29 US disclosed
US-8362024-B2 Purinyl derivatives and their use as potassium channel modulators NEUROSEARCH A/S (DK) 2013-01-29 US disclosed
EP-2402341-A2 Purinyl derivatives and their use as potassium channel modulators NeuroSearch A/S (DK) 2012-01-04 EP disclosed
EP-2402341-A2 Purinyl derivatives and their use as potassium channel modulators NeuroSearch A/S (DK) 2012-01-04 EP disclosed
US-20100120797-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-05-13 US disclosed
US-20100120797-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-05-13 US disclosed
CN-101646669-A Purinyl derivatives and their use as potassium channel modulators NEUROSEARCH AS DK 2010-02-10 CN disclosed
WO-2008116909-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 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 (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-20100120797-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ5, KCNJ3 KCNN3 15/4885KCNN2 5/4885MAPT 2371/4885

“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.