SCHEMBL183276

SCHEMBL183276

c1cc(-c2ncc3[nH]cnc3n2)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CDK2 P24941 2/20 0.41
RXFP1 Q9HBX9 1/20 0.38
PAK1 Q13153 1/20 0.36
CCNT1 O60563 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 0.35
CCNH P51946 1/20 0.35
POLA1 P09884 1/20 0.34
SCD O00767 2/20 0.32
MAPK14 Q16539 1/20 0.31
ADORA3 P0DMS8 2/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL29452971 0.78 ALDH1A1 (0.63) ALDH1A1KDM4ECDK2RXFP1PAK1
SCHEMBL381112 0.74 ALDH1A1 (0.46) ALDH1A1KDM4ECDK2RXFP1PAK1
SCHEMBL4924100 0.74 KDM4E (0.48) ALDH1A1KDM4ECDK2
SCHEMBL4283965 0.71 AXL (0.36)
SCHEMBL680856 0.71 CDK2 (0.55) ALDH1A1KDM4ECDK2RXFP1MAPK14
SCHEMBL17822137 0.71 CDK2 (0.58) ALDH1A1KDM4ECDK2RXFP1PAK1
SCHEMBL4875493 0.70 ALDH1A1 (0.53) ALDH1A1KDM4ECDK2RXFP1PAK1
Hydrochloric Acid SCHEMBL4456682 0.70 CDK2 (0.54) ALDH1A1KDM4ECDK2RXFP1MAPK14
SCHEMBL2420410 0.69
SCHEMBL5425282 0.68 ADORA2A (0.49) ALDH1A1KDM4ECDK2RXFP1PAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2010522722-A 2010-07-08 JP claimed
US-20100130516-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-05-27 US claimed
EP-2142547-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2010-01-13 EP claimed
WO-2008116914-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 WO claimed
CN-118638119-B Pyrazole purine herbicide safener as well as preparation method and application thereof 东北农业大学 2025-02-28 CN disclosed
CN-118638119-A Pyrazole purine herbicide safener as well as preparation method and application thereof 东北农业大学 2024-09-13 CN 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
US-9340544-B2 Purinyl derivatives and their use as potassium channel modulators ATAXION, INC. (US) 2016-05-17 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
US-8268838-B2 Substituted purinyl-pyrazole derivatives and their use as potassium channel modulators NEUROSEARCH A/S (DK) 2012-09-18 US disclosed
EP-2142547-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2010-01-13 EP disclosed
EP-2142546-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2010-01-13 EP disclosed
EP-2132208-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch AS (DK) 2009-12-16 EP 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-2008116914-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 WO disclosed
WO-2008116911-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 WO disclosed
WO-2008116912-A2 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 ALDH1A1 3364/4885KDM4E 917/4885CDK2 3528/4885
US-20100130516-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ5, KCNJ3 ALDH1A1 3364/4885KDM4E 917/4885CDK2 3528/4885

“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.