SCHEMBL2880914

SCHEMBL2880914

Cc1cnn(-c2nc(Nc3ccc(Cl)cc3)c3ncn(C)c3n2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 2/20 0.62
KCNN2 Q9H2S1 1/20 0.62
ADORA3 P0DMS8 3/20 0.44
ADORA1 P30542 2/20 0.44
ADORA2A P29274 1/20 0.44
HTR2C P28335 2/20 0.41
GRM5 P41594 2/20 0.41
BCL6 P41182 1/20 0.39
YTHDC1 Q96MU7 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL2883399 0.91 KCNN3 (0.62) KCNN3KCNN2ADORA3ADORA1ADORA2A
SCHEMBL183065 0.83 KCNN3 (0.66) KCNN3KCNN2HTR2CGRM5BCL6
SCHEMBL3618025 0.81 KCNN3 (0.61) KCNN3KCNN2ADORA3ADORA1ADORA2A
SCHEMBL2881387 0.81 KCNN3 (0.80) KCNN3KCNN2HTR2CGRM5BCL6
SCHEMBL3612211 0.79 KCNN3 (0.64) KCNN3KCNN2ADORA2AHTR2CBCL6
SCHEMBL183098 0.77 YTHDC1 (0.64) KCNN3KCNN2YTHDC1HDAC3HDAC4
SCHEMBL183176 0.77 KCNN3 (1.00) KCNN3KCNN2GRM5BCL6
SCHEMBL30421528 0.77 KCNN3 (1.00) KCNN3KCNN2GRM5BCL6
SCHEMBL183250 0.76 KCNN3 (0.72) KCNN3KCNN2HTR2CGRM5BCL6
SCHEMBL183032 0.76 KCNN3 (0.86) KCNN3KCNN2HTR2CGRM5BCL6

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.