SCHEMBL21646473

SCHEMBL21646473

CNc1ccnc(CN2CCOCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.47
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
WNT1 P04628 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
ALOX15 P16050 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
METAP2 P50579 1/20 0.39
PAX8 Q06710 1/20 0.39
IKBKE Q14164 2/20 0.39
TBK1 Q9UHD2 2/20 0.39
TYK2 P29597 1/20 0.39
CYP2A13 Q16696 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MITF O75030 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL24783068 0.86 CXCR4 (0.45) CXCR4NPC1RAB9AWNT1GSK3B
SCHEMBL12241724 0.80 CXCR4 (0.51) CXCR4NPC1RAB9AALOX15SMN1; SMN2
SCHEMBL2986252 0.80 CXCR4 (0.51) CXCR4NPC1RAB9AALOX15SMN1; SMN2
SCHEMBL17409824 0.79 CXCR4 (0.50) CXCR4NPC1RAB9AALOX15SMN1; SMN2
SCHEMBL25798032 0.78 HIF1A (0.51) CXCR4ALOX15SMN1; SMN2HRH3CYP2A13
SCHEMBL14896698 0.77 CXCR4 (0.51) CXCR4NPC1RAB9AALOX15SMN1; SMN2
SCHEMBL5117431 0.77 CYP2A13 (0.54) CXCR4NPC1RAB9AHRH3L3MBTL1
SCHEMBL6616735 0.77 CXCR4 (0.51) CXCR4NPC1RAB9AALOX15SMN1; SMN2
SCHEMBL30856782 0.77 CXCR4 (0.51) CXCR4NPC1RAB9AALOX15SMN1; SMN2
SCHEMBL15971997 0.77 CD274 (0.50) WNT1GSK3BDYRK1AIKBKETBK1

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-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2023-04-13 US disclosed
EP-4104861-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2022-12-21 EP disclosed
WO-2021141041-A1 THERAPEUTIC AGENT FOR TAUOPATHIES 大日本住友製薬株式会社 2021-07-15 WO disclosed
WO-2020017587-A1 PYRIDAZINONE DERIVATIVE 大日本住友製薬株式会社 2020-01-23 WO 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-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES MAPT, PSEN1, PSEN2 CXCR4 4499/4885NPC1 324/4885RAB9A 2310/4885

“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.