SCHEMBL2883399

SCHEMBL2883399

Cn1cnc2c(Nc3ccc(Cl)cc3)nc(-n3cc(Cl)cn3)nc21

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 2/20 0.62
KCNN2 Q9H2S1 1/20 0.62
HTR2C P28335 2/20 0.43
ADORA3 P0DMS8 4/20 0.42
ADORA1 P30542 3/20 0.41
ADORA2A P29274 2/20 0.41
YTHDC1 Q96MU7 1/20 0.40
GRM5 P41594 2/20 0.40
PDGFRA P16234 3/20 0.39
CCNE1 P24864 3/20 0.39
CDK2 P24941 3/20 0.39
CDK1 P06493 1/20 0.39
BCL6 P41182 1/20 0.38

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
SCHEMBL2880914 0.91 KCNN3 (0.62) KCNN3KCNN2HTR2CADORA3ADORA1
SCHEMBL3618025 0.83 KCNN3 (0.61) KCNN3KCNN2HTR2CADORA3ADORA1
SCHEMBL183065 0.82 KCNN3 (0.66) KCNN3KCNN2HTR2CYTHDC1GRM5
SCHEMBL2881387 0.81 KCNN3 (0.80) KCNN3KCNN2HTR2CYTHDC1GRM5
SCHEMBL3612211 0.81 KCNN3 (0.64) KCNN3KCNN2HTR2CADORA2AYTHDC1
SCHEMBL183098 0.79 YTHDC1 (0.64) KCNN3KCNN2YTHDC1CCNE1CDK2
SCHEMBL2876217 0.78 KCNN3 (0.62) KCNN3KCNN2YTHDC1PDGFRACCNE1
SCHEMBL13442219 0.78 KCNN3 (0.59) KCNN3KCNN2HTR2CYTHDC1PDGFRA
SCHEMBL183176 0.76 KCNN3 (1.00) KCNN3KCNN2GRM5BCL6
SCHEMBL30421528 0.76 KCNN3 (1.00) KCNN3KCNN2GRM5BCL6

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 5/4885HTR2C 737/4885

“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.