SCHEMBL183502

SCHEMBL183502

Cn1cnc2c(Nc3ccncc3)nc(NN)nc21

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.48
CCNA2 P20248 6/20 0.48
CCNA1 P78396 6/20 0.48
CDK5 Q00535 6/20 0.48
DYRK1A Q13627 6/20 0.48
CDK5R1 Q15078 6/20 0.48
ADORA3 P0DMS8 2/20 0.46
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
PDE5A O76074 1/20 0.43
KCNN3 Q9UGI6 2/20 0.43
KCNN2 Q9H2S1 1/20 0.43
CCNE2 O96020 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK1 P06493 1/20 0.40

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
SCHEMBL183147 0.88 ADORA3 (0.59) CDK2CCNA2CCNA1CDK5CDK5R1
SCHEMBL183493 0.86 KCNN3 (0.58) CDK2ADORA3ADORA2AADORA1PDE5A
SCHEMBL183290 0.86 CCNE2 (0.59) CDK2ADORA3ADORA2AADORA1PDE5A
SCHEMBL183297 0.86 KCNN3 (0.58) CDK2ADORA3ADORA2AADORA1PDE5A
SCHEMBL183270 0.85 BCDIN3D (0.46) CDK2ADORA3ADORA2AADORA1PDE5A
SCHEMBL183372 0.83 CDK1 (0.46) CDK2ADORA3ADORA2AADORA1PDE5A
SCHEMBL13363593 0.83 PDE5A (0.45) CDK2ADORA3ADORA2AADORA1PDE5A
SCHEMBL19498626 0.83 KCNN3 (0.45) CDK2ADORA3ADORA2AADORA1PDE5A
SCHEMBL13708308 0.81 CDK1 (0.49) CDK2CCNA2CCNA1CDK5CDK5R1
SCHEMBL183231 0.81 CDK2 (0.70) CDK2CCNA2CCNA1CDK5DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101646669-B Purinyl derivatives and their use as potassium channel modulators NEUROSEARCH AS 2013-09-04 CN disclosed
US-20130109704-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2013-05-02 US disclosed
US-20130109704-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2013-05-02 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
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
EP-2142546-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2010-01-13 EP disclosed
WO-2008116909-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 WO 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 (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-20130109704-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ5, KCNJ3 CDK2 3528/4885CCNA2 4698/4885CCNA1 4793/4885
US-20100120797-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ5, KCNJ3 CDK2 3528/4885CCNA2 4698/4885CCNA1 4793/4885

“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.