SCHEMBL243340

SCHEMBL243340

Cn1cnc2c(Nc3ccc(F)c(F)c3)nc(NN)nc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.48
BCR P11274 2/20 0.48
BTK Q06187 2/20 0.48
KCNN3 Q9UGI6 2/20 0.45
KCNN2 Q9H2S1 1/20 0.45
CDK1 P06493 6/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
ADORA3 P0DMS8 2/20 0.43
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
BCDIN3D Q7Z5W3 2/20 0.43
PRKCA P17252 2/20 0.41
PDE5A O76074 2/20 0.41

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
SCHEMBL183493 0.86 KCNN3 (0.58) ABL1BTKKCNN3KCNN2CDK1
SCHEMBL183297 0.84 KCNN3 (0.58) KCNN3KCNN2CDK1ADORA3ADORA2A
SCHEMBL246017 0.83 YTHDC1 (0.57) KCNN3KCNN2CDK1CDK5CDK5R1
SCHEMBL183290 0.81 CCNE2 (0.59) KCNN3KCNN2CDK1ADORA3ADORA2A
SCHEMBL183147 0.81 ADORA3 (0.59) ABL1BTKCDK1CDK5CDK5R1
SCHEMBL183270 0.81 BCDIN3D (0.46) KCNN3KCNN2CDK1ADORA3ADORA2A
SCHEMBL19498626 0.81 KCNN3 (0.45) KCNN3KCNN2CDK1ADORA3ADORA2A
SCHEMBL183502 0.80 CDK2 (0.48) KCNN3KCNN2CDK1CDK5CDK5R1
SCHEMBL183054 0.79 KCNN3 (0.45) KCNN3KCNN2CDK1ADORA3ADORA2A
SCHEMBL183372 0.79 CDK1 (0.46) KCNN3KCNN2CDK1ADORA3ADORA2A

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 12 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 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
US-20100130516-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-05-27 US disclosed
US-20100130516-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-05-27 US disclosed
US-20100130516-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-05-27 US disclosed
EP-2144911-A2 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch AS (DK) 2010-01-20 EP disclosed
EP-2142547-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2010-01-13 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
WO-2008116914-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 WO disclosed
WO-2008116914-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 (2 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 ABL1 3096/4885BCR 4235/4885BTK 4163/4885
US-20100130516-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ5, KCNJ3 ABL1 3096/4885BCR 4235/4885BTK 4163/4885

“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.