SCHEMBL26796178

SCHEMBL26796178

Cn1cnc2nc(C(C)(C)C)ccc21

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
GAA P10253 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 2/20 0.34
DYRK1A Q13627 1/20 0.32
GRM5 P41594 1/20 0.32
HPGD P15428 2/20 0.31
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 2/20 0.31
GFER P55789 1/20 0.31
TP53 P04637 1/20 0.30
KMT2A Q03164 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
SCHEMBL10238677 0.75 PRPS1 (0.42) NPC1RAB9AGAASMN1; SMN2KDM4E
SCHEMBL23346896 0.73 DYRK1A (0.44) GAAKDM4EALDH1A1DYRK1AGRM5
SCHEMBL13137283 0.73 DYRK1A (0.33) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL23529932 0.73 PRPS1 (0.41) NPC1RAB9AGAASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL26626454 0.72 DYRK1A (0.42) GAAKDM4EALDH1A1DYRK1AGRM5
SCHEMBL26796175 0.72 PDE4A (0.35)
Hydrochloric Acid SCHEMBL31362150 0.72 DYRK1A (0.42) GAAKDM4EALDH1A1DYRK1AGRM5
SCHEMBL14866998 0.70 CNR2 (0.33) ALDH1A1
SCHEMBL15943779 0.70 DYRK1A (0.47) DYRK1AGRM5MAPT
SCHEMBL19960597 0.69 DPP4 (0.41) NPC1RAB9AGAASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382909-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-30 US disclosed
US-20230382909-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-30 US disclosed
US-20230374008-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-23 US disclosed
US-20230374008-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-23 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 (2 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-20230382909-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 NPC1 11/4885RAB9A 277/4885GAA 172/4885
US-20230374008-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 NPC1 11/4885RAB9A 277/4885GAA 172/4885

“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.