SCHEMBL183218

SCHEMBL183218

CCn1cnc2c(N(Cc3ccccc3)C3=COCO3)nc(-n3nc(C)cc3C)nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNK O75909 6/20 0.37
CDK12 Q9NYV4 6/20 0.37
NPSR1 Q6W5P4 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MAPT P10636 4/20 0.37
KMT2A Q03164 4/20 0.37
NTSR1 P30989 3/20 0.37
MAPK1 P28482 3/20 0.37
MEN1 O00255 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 3/20 0.36
TMIGD3 P0DMS9 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
ALOX15 P16050 3/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL183311 0.81 YTHDC1 (0.42) TMIGD3ADORA2AADORA2BADORA1PDE4A
SCHEMBL4904331 0.81 SMN1; SMN2 (0.41) NPSR1SMN1; SMN2MAPTKMT2ANTSR1
SCHEMBL3325874 0.69 KCNN2 (0.42) CCNKCDK12NPSR1SMN1; SMN2MAPT
SCHEMBL183217 0.67 NPSR1 (0.57) CCNKCDK12NPSR1SMN1; SMN2MAPT
SCHEMBL264778 0.65 PDK1 (0.36) KMT2AMEN1ALDH1A1
SCHEMBL183265 0.63 KCNN3 (0.76) CCNKCDK12NPSR1SMN1; SMN2KMT2A
SCHEMBL183708 0.63 KCNN2 (0.70) NPSR1SMN1; SMN2KMT2AMEN1HTT
SCHEMBL240874 0.62 KCNN3 (0.61) CCNKCDK12MAPTPOLBKCNN2
SCHEMBL3591520 0.62 KCNN3 (0.58) NPSR1SMN1; SMN2HTTADORA2AALOX15
SCHEMBL3600409 0.62 MAPK14 (0.40) NPSR1SMN1; SMN2MAPTKMT2ANTSR1

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
EP-2142546-B1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS SANIONA AS (DK) 2017-06-07 EP claimed
EP-2402341-A2 Purinyl derivatives and their use as potassium channel modulators NeuroSearch A/S (DK) 2012-01-04 EP claimed
US-20100120797-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-05-13 US claimed
EP-2402341-B1 Purinyl derivatives and their use as potassium channel modulators SANIONA AS (DK) 2017-10-25 EP disclosed
EP-2142546-B1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS SANIONA AS (DK) 2017-06-07 EP disclosed
US-9340544-B2 Purinyl derivatives and their use as potassium channel modulators ATAXION, INC. (US) 2016-05-17 US disclosed
US-20130109704-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2013-05-02 US disclosed
US-8362024-B2 Purinyl derivatives and their use as potassium channel modulators NEUROSEARCH A/S (DK) 2013-01-29 US disclosed
EP-2402341-A2 Purinyl derivatives and their use as potassium channel modulators NeuroSearch A/S (DK) 2012-01-04 EP disclosed
US-20100120797-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-05-13 US 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-20130109704-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ5, KCNJ3 CCNK 3547/4885CDK12 4234/4885NPSR1 1377/4885
US-20100120797-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ5, KCNJ3 CCNK 3547/4885CDK12 4234/4885NPSR1 1377/4885

“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.