SCHEMBL2876217

SCHEMBL2876217

Cn1cnc2c(Nc3ccc(Cl)cc3)nc(-n3ccc(C(F)(F)F)n3)nc21

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 3/20 0.62
KCNN2 Q9H2S1 1/20 0.59
BCL6 P41182 2/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
MAPT P10636 1/20 0.39
IDH1 O75874 5/20 0.38
IDH2 P48735 1/20 0.38
PDGFRA P16234 3/20 0.37
CCNE1 P24864 3/20 0.37
CDK2 P24941 3/20 0.37
YTHDC1 Q96MU7 1/20 0.37
SRC P12931 1/20 0.36

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
SCHEMBL3612211 0.85 KCNN3 (0.64) KCNN3KCNN2BCL6PDGFRACCNE1
SCHEMBL2881387 0.85 KCNN3 (0.80) KCNN3KCNN2BCL6PDGFRACCNE1
SCHEMBL183420 0.82 KCNN3 (0.78) KCNN3KCNN2BCL6PDE4APDE4B
SCHEMBL183247 0.82 KCNN3 (0.66) KCNN3KCNN2BCL6PDE4APDE4B
SCHEMBL13442219 0.82 KCNN3 (0.59) KCNN3KCNN2BCL6PDGFRACCNE1
SCHEMBL2881299 0.80 KCNN3 (0.57) KCNN3KCNN2BCL6MAPTPDGFRA
SCHEMBL3618025 0.79 KCNN3 (0.61) KCNN3KCNN2BCL6PDGFRACCNE1
SCHEMBL183065 0.78 KCNN3 (0.66) KCNN3KCNN2BCL6PDGFRACCNE1
SCHEMBL2883399 0.78 KCNN3 (0.62) KCNN3KCNN2BCL6PDGFRACCNE1
SCHEMBL2881462 0.77 KCNN3 (1.00) KCNN3KCNN2

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 5/4885BCL6 4271/4885

“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.