SCHEMBL12368263

SCHEMBL12368263

CCCc1nc(N)nc(N)c1-c1ccccc1C

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HEXA P06865 6/20 0.78
▸ HEXB P07686 6/20 0.78
▸ DHFR P00374 7/20 0.52
▸ REN P00797 1/20 0.49
▸ ADORA2A P29274 1/20 0.41

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
SCHEMBL12368255 0.88 HEXA (1.00) HEXAHEXBDHFRREN
SCHEMBL3502224 0.80 DHFR (0.78) HEXAHEXBDHFR
SCHEMBL12368245 0.75 HEXA (0.77) HEXAHEXBDHFR
SCHEMBL12368260 0.74 HEXA (0.79) HEXAHEXBDHFR
SCHEMBL6348834 0.73 HEXA (0.77) HEXAHEXBDHFR
SCHEMBL12368264 0.72 HEXA (0.77) HEXAHEXBDHFR
SCHEMBL12368268 0.71 HEXA (0.73) HEXAHEXBDHFRREN
SCHEMBL6049641 0.71 HEXA (0.70) HEXAHEXBDHFRREN
SCHEMBL11592534 0.71 HEXA (1.00) HEXAHEXBDHFR
SCHEMBL16966518 0.69 HEXA (0.59) HEXAHEXBDHFRRENADORA2A

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-20150272951-A1 COMPOUNDS FOR THE TREATMENT OF LYSOSOMAL STORAGE DISEASES HOSPITAL FOR SICK CHILDREN (CA) 2015-10-01 — — US disclosed
US-20150272951-A1 COMPOUNDS FOR THE TREATMENT OF LYSOSOMAL STORAGE DISEASES HOSPITAL FOR SICK CHILDREN (CA) 2015-10-01 — — US disclosed
US-20110195985-A1 COMPOUNDS FOR THE TREATMENT OF LYSOSOMAL STORAGE DISEASES THE HOSPITAL FOR SICK CHILDREN (CA) 2011-08-11 — — US disclosed
US-20110195985-A1 COMPOUNDS FOR THE TREATMENT OF LYSOSOMAL STORAGE DISEASES THE HOSPITAL FOR SICK CHILDREN (CA) 2011-08-11 — — 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-20150272951-A1 COMPOUNDS FOR THE TREATMENT OF LYSOSOMAL STORAGE DISEASES GAA, GBA1, MAN2B1 HEXA 48/4885HEXB 59/4885DHFR 960/4885
US-20110195985-A1 COMPOUNDS FOR THE TREATMENT OF LYSOSOMAL STORAGE DISEASES GAA, GBA1, MAN2B1 HEXA 48/4885HEXB 59/4885DHFR 960/4885

“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.

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