SCHEMBL2880920

SCHEMBL2880920

Cc1ccn(-c2nc(Oc3ccc(Cl)cc3)c3ncn(C)c3n2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 3/20 0.50
KCNN2 Q9H2S1 1/20 0.43
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CDK1 P06493 1/20 0.33
KDM4E B2RXH2 3/20 0.33
LMNA P02545 2/20 0.33
KDR P35968 1/20 0.33
HPGD P15428 2/20 0.32
YTHDC1 Q96MU7 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NSD2 O96028 1/20 0.32
NSD3 Q9BZ95 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
GPR55 Q9Y2T6 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL3607379 0.78 CDK1 (0.51) KCNN3KCNN2CCNE2CCNE1CDK2
SCHEMBL2881387 0.78 KCNN3 (0.80) KCNN3KCNN2CCNE1CDK2CDK1
SCHEMBL3615125 0.73 CDK1 (0.43) KCNN3KCNN2CCNE2CCNE1CDK2
SCHEMBL2880904 0.68 KCNN3 (0.80) KCNN3KCNN2CCNE2CCNE1CDK2
SCHEMBL2850075 0.67 KCNN3 (0.79) KCNN3KCNN2CDK1
SCHEMBL2881462 0.67 KCNN3 (1.00) KCNN3KCNN2CDK1
SCHEMBL3612211 0.67 KCNN3 (0.64) KCNN3KCNN2CCNE1CDK2CDK1
SCHEMBL29051309 0.66 KCNN3 (0.81) KCNN3KCNN2KDRSMN1; SMN2ALDH1A1
SCHEMBL2881269 0.65 KCNN3 (0.58) KCNN3CCNE2CCNE1CDK2CDK1
SCHEMBL2876217 0.64 KCNN3 (0.62) KCNN3KCNN2CCNE1CDK2YTHDC1

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 5/4885CCNE2 4832/4885

“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.