SCHEMBL183147

SCHEMBL183147

Cn1cnc2c(Nc3ccccc3)nc(NN)nc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.59
ADORA2A P29274 2/20 0.59
ADORA1 P30542 2/20 0.59
PDE5A O76074 3/20 0.52
CDK2 P24941 4/20 0.48
CCNE1 P24864 3/20 0.48
CDK1 P06493 3/20 0.48
GAA P10253 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
CCNB2 O95067 1/20 0.48
CCNE2 O96020 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CCNB1 P14635 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
CCNA2 P20248 1/20 0.48

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
SCHEMBL183502 0.88 CDK2 (0.48) ADORA3ADORA2AADORA1PDE5ACDK2
SCHEMBL183297 0.87 KCNN3 (0.58) ADORA3ADORA2AADORA1PDE5ACDK2
SCHEMBL183493 0.87 KCNN3 (0.58) ADORA3ADORA2AADORA1PDE5ACDK2
SCHEMBL183290 0.87 CCNE2 (0.59) ADORA3ADORA2AADORA1PDE5ACDK2
SCHEMBL19498626 0.84 KCNN3 (0.45) ADORA3ADORA2AADORA1PDE5ACDK2
SCHEMBL183372 0.84 CDK1 (0.46) ADORA3ADORA2AADORA1PDE5ACDK2
SCHEMBL183270 0.84 BCDIN3D (0.46) ADORA3ADORA2AADORA1PDE5ACDK2
SCHEMBL13363593 0.84 PDE5A (0.45) ADORA3ADORA2AADORA1PDE5ACDK2
SCHEMBL13708308 0.82 CDK1 (0.49) ADORA3ADORA2AADORA1CDK2CCNE1
SCHEMBL183403 0.82 ADORA2A (0.47) ADORA3ADORA2AADORA1PDE5ACDK2

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 29 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-20100105705-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-29 US disclosed
US-20100105705-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-29 US disclosed
US-20100105705-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-29 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
EP-2142545-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
WO-2008116910-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 WO disclosed
WO-2008116910-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 ADORA3 319/4885ADORA2A 295/4885ADORA1 341/4885
US-20100105705-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ5, KCNJ3 ADORA3 319/4885ADORA2A 295/4885ADORA1 341/4885

“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.