SCHEMBL3325874

SCHEMBL3325874

CCn1cnc2c(NC3=COC(Cc4ccccc4)O3)nc(-n3nc(C)cc3C)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN2 Q9H2S1 1/20 0.42
KCNN3 Q9UGI6 1/20 0.42
CCNK O75909 9/20 0.42
CDK12 Q9NYV4 9/20 0.42
NPSR1 Q6W5P4 5/20 0.41
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 4/20 0.38
ALOX15 P16050 3/20 0.38
MEN1 O00255 3/20 0.38
MAPK1 P28482 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
TSHR P16473 2/20 0.38
PPP1CA P62136 2/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
NTSR1 P30989 2/20 0.37

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 0.73 KCNN3 (0.76) KCNN2KCNN3CCNKCDK12NPSR1
SCHEMBL183708 0.72 KCNN2 (0.70) KCNN2KCNN3NPSR1HTTSMN1; SMN2
SCHEMBL240874 0.72 KCNN3 (0.61) KCNN2KCNN3CCNKCDK12TP53
SCHEMBL3591520 0.71 KCNN3 (0.58) KCNN2KCNN3NPSR1HTTSMN1; SMN2
SCHEMBL183217 0.71 NPSR1 (0.57) KCNN2KCNN3CCNKCDK12NPSR1
SCHEMBL183371 0.69 KCNN3 (0.57) KCNN2KCNN3NPSR1HTTSMN1; SMN2
SCHEMBL183218 0.69 CCNK (0.37) KCNN2KCNN3CCNKCDK12NPSR1
SCHEMBL182996 0.68 KCNN3 (0.80) KCNN2KCNN3NPSR1HTTSMN1; SMN2
SCHEMBL183101 0.67 KCNN2 (0.59) KCNN2KCNN3NPSR1HTTSMN1; SMN2
SCHEMBL183318 0.64 KCNN3 (0.71) KCNN2KCNN3NPSR1HTTSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362024-B2 Purinyl derivatives and their use as potassium channel modulators NEUROSEARCH A/S (DK) 2013-01-29 US 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 (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-20100120797-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ5, KCNJ3 KCNN2 5/4885KCNN3 15/4885CCNK 3547/4885

“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.