SCHEMBL2881269

SCHEMBL2881269

Cc1ccn(-c2nc(NCCc3ccccc3)c3ncn(C)c3n2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 2/20 0.58
ADORA1 P30542 6/20 0.51
ADORA3 P0DMS8 2/20 0.51
TSPO P30536 1/20 0.51
ADORA2A P29274 6/20 0.48
TMIGD3 P0DMS9 5/20 0.48
CDK1 P06493 4/20 0.48
ADORA2B P29275 3/20 0.47
CTSL P07711 2/20 0.47
CYP2D6 P10635 2/20 0.47
CCNA2 P20248 2/20 0.47
CDK2 P24941 2/20 0.47
CCNA1 P78396 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CCNB2 O95067 1/20 0.47
CCNE2 O96020 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL183101 0.82 KCNN2 (0.59) KCNN3ADORA1ADORA3TSPOADORA2A
SCHEMBL2880904 0.81 KCNN3 (0.80) KCNN3ADORA1ADORA3ADORA2ACDK1
SCHEMBL183259 0.78 CDK1 (0.77) ADORA1ADORA3TSPOADORA2ATMIGD3
SCHEMBL183394 0.76 CDK1 (0.60) ADORA1ADORA3TSPOADORA2ATMIGD3
SCHEMBL2881387 0.73 KCNN3 (0.80) KCNN3CDK1CDK2CYP1A2CYP3A4
SCHEMBL2881462 0.73 KCNN3 (1.00) KCNN3CDK1
SCHEMBL2850075 0.71 KCNN3 (0.79) KCNN3CDK1CDK5CDK5R1
SCHEMBL17628638 0.69 CDK2 (0.81) CDK1CYP2D6CCNA2CDK2CCNA1
SCHEMBL17628641 0.69 CDK2 (0.81) CDK1CYP2D6CCNA2CDK2CCNA1
SCHEMBL5163682 0.69 ADORA1 (0.75) ADORA1ADORA3ADORA2ATMIGD3CDK1

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 15/4885ADORA1 341/4885ADORA3 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.