SCHEMBL240874

SCHEMBL240874

CCn1cnc2c(Nc3ccc(Cl)c(Cl)c3)nc(-n3nc(C)cc3C)nc21

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 2/20 0.61
KCNN2 Q9H2S1 1/20 0.61
BCL6 P41182 1/20 0.48
NPC1 O15118 1/20 0.47
SRC P12931 1/20 0.47
CDK1 P06493 8/20 0.47
PRKCA P17252 3/20 0.47
CCNK O75909 3/20 0.43
CDK12 Q9NYV4 3/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HSP90AA1 P07900 1/20 0.43

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
SCHEMBL183265 0.90 KCNN3 (0.76) KCNN3KCNN2BCL6NPC1SRC
SCHEMBL183217 0.83 NPSR1 (0.57) KCNN3KCNN2NPC1SRCCDK1
SCHEMBL244036 0.82 SRC (0.55) NPC1SRCCDK1PRKCA
SCHEMBL183318 0.79 KCNN3 (0.71) KCNN3KCNN2BCL6SRCCDK1
SCHEMBL183708 0.78 KCNN2 (0.70) KCNN3KCNN2BCL6CDK1POLB
SCHEMBL183670 0.78 KCNN3 (0.69) KCNN3KCNN2BCL6NPC1SRC
SCHEMBL183176 0.76 KCNN3 (1.00) KCNN3KCNN2BCL6TP53POLB
SCHEMBL30421528 0.76 KCNN3 (1.00) KCNN3KCNN2BCL6TP53POLB
SCHEMBL3591520 0.76 KCNN3 (0.58) KCNN3KCNN2BCL6CDK1POLB
SCHEMBL183487 0.73 KCNN3 (0.79) KCNN3KCNN2BCL6TP53POLB

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
US-20120004246-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2012-01-05 US claimed
JP-2010522721-A 2010-07-08 JP claimed
EP-2144911-A2 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch AS (DK) 2010-01-20 EP claimed
WO-2008116912-A2 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 WO claimed
US-20120004246-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2012-01-05 US disclosed
US-20120004246-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2012-01-05 US disclosed
US-20120004246-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2012-01-05 US disclosed
EP-2144911-A2 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch AS (DK) 2010-01-20 EP disclosed
WO-2008116912-A2 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 WO disclosed
WO-2008116912-A2 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-20120004246-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.