SCHEMBL9925952

SCHEMBL9925952

CCc1cnc(N(CC)CC)cn1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 2/20 0.33
AOC3 Q16853 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MYC P01106 3/20 0.31
ALOX15 P16050 1/20 0.30
HCAR3 P49019 1/20 0.30

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
SCHEMBL9925938 0.80 AOC3 (0.35) GBA1AOC3HCAR3
SCHEMBL830188 0.80 NOS3 (0.33) GBA1
SCHEMBL9925945 0.79 CKS1B (0.34) GBA1HCAR3
SCHEMBL9924584 0.77 GBA1 (0.48) GBA1SMN1; SMN2L3MBTL1KMT2AAOC3
SCHEMBL14649104 0.76 GBA1 (0.47) GBA1SMN1; SMN2L3MBTL1KMT2AAOC3
SCHEMBL18708818 0.76 GBA1 (0.47) GBA1SMN1; SMN2L3MBTL1KMT2AAOC3
SCHEMBL16646632 0.75 HCAR3 (0.44) AOC3ALDH1A1HCAR3
SCHEMBL19420653 0.74 GBA1 (0.31) GBA1
SCHEMBL9924594 0.72 GBA1 (0.44) GBA1SMN1; SMN2L3MBTL1KMT2AAOC3
SCHEMBL179535 0.72 GBA1 (0.44) GBA1SMN1; SMN2L3MBTL1KMT2AAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170281614-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2017-10-05 US disclosed
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2017-05-18 US disclosed
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2012-06-14 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 (3 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-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 GBA1 671/4885SMN1; SMN2 1326/4885L3MBTL1 2904/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A GBA1 856/4885SMN1; SMN2 2859/4885L3MBTL1 2802/4885
US-20170281614-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB GBA1 1016/4885SMN1; SMN2 3325/4885L3MBTL1 4132/4885

“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.