SCHEMBL16376263

SCHEMBL16376263

O=c1cnnc2ncccn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.40
PARP1 P09874 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
HPGD P15428 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
PDE10A Q9Y233 1/20 0.34
PKM P14618 4/20 0.34
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 4/20 0.33
GAA P10253 2/20 0.33
DYRK1A Q13627 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GLA P06280 1/20 0.33
RAB9A P51151 1/20 0.33
CCNK O75909 1/20 0.31
CDK12 Q9NYV4 1/20 0.31
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL6469168 0.74 ADORA3 (0.57) BACE1PARP1ADORA3HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL6445246 0.72 ADORA3 (0.55) BACE1PARP1ADORA3HPGDSMN1; SMN2
SCHEMBL22714820 0.69 BACE1 (0.39) BACE1PARP1HPGDSMN1; SMN2HTT
SCHEMBL7509570 0.68 BACE1 (0.50) BACE1SMN1; SMN2PDE10APKMKDM4E
SCHEMBL18879011 0.67 PKM (0.41) BACE1PARP1HPGDSMN1; SMN2HTT
SCHEMBL22144643 0.67 KDM4E (0.47) PARP1HPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL3152260 0.65 BACE1 (0.52) BACE1HPGDSMN1; SMN2PDE10APKM
SCHEMBL10758387 0.65 HPGD (0.40) BACE1PARP1HPGDSMN1; SMN2HTT
SCHEMBL8646557 0.65 HPGD (0.40) BACE1PARP1HPGDSMN1; SMN2HTT
SCHEMBL3200251 0.65 BACE1 (0.39) BACE1HPGDSMN1; SMN2HTTPDE10A

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-20150005289-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. 2015-01-01 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-20150005289-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 BACE1 2794/4885PARP1 2805/4885ADORA3 3003/4885

“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.