SCHEMBL2880904

SCHEMBL2880904

Cc1ccn(-c2nc(Nc3ccccc3)c3ncn(C)c3n2)n1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 3/20 0.80
KCNN2 Q9H2S1 1/20 0.54
ADORA3 P0DMS8 2/20 0.45
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.45
CDK1 P06493 4/20 0.42
PDE5A O76074 1/20 0.38
BTK Q06187 1/20 0.38
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
PDGFRA P16234 1/20 0.37
CCNE2 O96020 1/20 0.37

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
SCHEMBL2881462 0.89 KCNN3 (1.00) KCNN3KCNN2CDK1BTK
SCHEMBL2881387 0.89 KCNN3 (0.80) KCNN3KCNN2CDK1CYP3A4CCNE1
SCHEMBL2850075 0.84 KCNN3 (0.79) KCNN3KCNN2CDK1BTK
SCHEMBL2881269 0.81 KCNN3 (0.58) KCNN3ADORA3ADORA2AADORA1CDK1
SCHEMBL182996 0.81 KCNN3 (0.80) KCNN3KCNN2ADORA3ADORA2AADORA1
SCHEMBL29051310 0.81 KCNN3 (0.80) KCNN3KCNN2
SCHEMBL2398793 0.79 KCNN3 (0.58) KCNN3KCNN2ADORA3ADORA2AADORA1
SCHEMBL3612211 0.77 KCNN3 (0.64) KCNN3KCNN2ADORA2ACDK1CYP3A4
SCHEMBL183230 0.75 CDK1 (0.66) KCNN3KCNN2ADORA3ADORA2AADORA1
SCHEMBL2876217 0.74 KCNN3 (0.62) KCNN3KCNN2CCNE1CDK2PDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2010522719-A 2010-07-08 JP claimed
US-20100105705-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-29 US claimed
EP-2142545-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2010-01-13 EP claimed
WO-2008116910-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 WO claimed
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
EP-2142545-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2010-01-13 EP 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 (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-20100105705-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ5, KCNJ3 KCNN3 15/4885KCNN2 5/4885ADORA3 319/4885

“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.