SCHEMBL22872865

SCHEMBL22872865

Cc1cc(C)n(-c2nc(NC3CCCCC3)c3ncccc3n2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN2 Q9H2S1 1/20 0.56
KCNN3 Q9UGI6 1/20 0.56
ALDH1A1 P00352 6/20 0.51
NPSR1 Q6W5P4 3/20 0.51
NR2F2 P24468 2/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
S1PR2 O95136 1/20 0.51
LMNA P02545 1/20 0.51
XBP1 P17861 1/20 0.51
RAB9A P51151 1/20 0.51
PPP1CA P62136 1/20 0.51
KDM4E B2RXH2 2/20 0.49
MAPK1 P28482 2/20 0.49
MAPT P10636 1/20 0.49
ADORA3 P0DMS8 5/20 0.41
ADORA2A P29274 5/20 0.41
GAA P10253 1/20 0.40
CCR4 P51679 1/20 0.39

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
SCHEMBL22872947 0.84 KCNN2 (0.57) KCNN2KCNN3ALDH1A1NPSR1NR2F2
SCHEMBL4908801 0.84 KCNN2 (0.59) KCNN2KCNN3ALDH1A1NPSR1NR2F2
SCHEMBL4913903 0.84 KCNN2 (0.59) KCNN2KCNN3ALDH1A1NPSR1NR2F2
SCHEMBL4912379 0.84 KCNN2 (0.59) KCNN2KCNN3ALDH1A1NPSR1NR2F2
SCHEMBL4911365 0.82 KCNN2 (0.57) KCNN2KCNN3ALDH1A1NPSR1NR2F2
SCHEMBL22872866 0.81 GBA1 (0.43) KCNN3KMT2AMEN1LMNAADORA2A
SCHEMBL183212 0.78 KCNN2 (0.58) KCNN2KCNN3ALDH1A1NPSR1NR2F2
SCHEMBL4910336 0.78 ALDH1A1 (0.51) KCNN2KCNN3ALDH1A1NPSR1NR2F2
SCHEMBL20568571 0.76 POLB (0.56) KCNN2KCNN3ALDH1A1NPSR1KMT2A
SCHEMBL4216854 0.74 NR2F2 (0.63) KCNN2KCNN3ALDH1A1NPSR1NR2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210009581-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT CHU NANTES (FR) 2021-01-14 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-20210009581-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT CACNA1E, KCNA1, KCNT1 KCNN2 19/4885KCNN3 35/4885ALDH1A1 680/4885

“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.