SCHEMBL3319876

SCHEMBL3319876

Cc1cc(C)n(-c2nc(Nc3ccccc3C#N)c3ncn(C)c3n2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 2/20 0.62
KCNN2 Q9H2S1 1/20 0.62
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 4/20 0.43
NTSR1 P30989 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 3/20 0.40
ALOX15 P16050 2/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TP53 P04637 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL182996 0.83 KCNN3 (0.80) KCNN3KCNN2KDM4ENPSR1NTSR1
SCHEMBL183257 0.82 KCNN3 (0.76) KCNN3KCNN2NPSR1KMT2ASMN1; SMN2
SCHEMBL27794448 0.78 KCNN3 (0.59) KCNN3KCNN2KDM4ENPSR1NTSR1
SCHEMBL183629 0.78 KCNN3 (0.78) KCNN3KCNN2NPSR1NTSR1KMT2A
SCHEMBL183151 0.78 KCNN3 (0.82) KCNN3KCNN2NPSR1KMT2ASMN1; SMN2
SCHEMBL30421528 0.77 KCNN3 (1.00) KCNN3KCNN2NPSR1SMN1; SMN2POLB
SCHEMBL183069 0.77 KCNN3 (0.80) KCNN3KCNN2NPSR1KMT2ASMN1; SMN2
SCHEMBL183176 0.77 KCNN3 (1.00) KCNN3KCNN2NPSR1SMN1; SMN2POLB
SCHEMBL183385 0.77 KCNN3 (0.80) KCNN3KCNN2NPSR1KMT2ASMN1; SMN2
SCHEMBL183101 0.76 KCNN2 (0.59) KCNN3KCNN2KDM4ENPSR1KMT2A

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 KCNN3 15/4885KCNN2 5/4885KDM4E 917/4885

“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.