SCHEMBL2636631

SCHEMBL2636631

Nc1nc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)nc2[nH]cnc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.43
ADORA2A P29274 2/20 0.41
ADORA2B P29275 2/20 0.41
LMNA P02545 1/20 0.39
NT5E P21589 1/20 0.39
CYP1A2 P05177 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
THPO P40225 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA1 P30542 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL8509316 1.00 HIF1A (0.43) HIF1AADORA2AADORA2BLMNANT5E
SCHEMBL15263324 1.00 HIF1A (0.43) HIF1AADORA2AADORA2BLMNANT5E
SCHEMBL2010790 1.00 HIF1A (0.43) HIF1AADORA2AADORA2BLMNANT5E
SCHEMBL4436402 1.00 HIF1A (0.43) HIF1AADORA2AADORA2BLMNANT5E
SCHEMBL5182595 1.00 HIF1A (0.43) HIF1AADORA2AADORA2BLMNANT5E
SCHEMBL240028 1.00 HIF1A (0.43) HIF1AADORA2AADORA2BLMNANT5E
SCHEMBL1994115 1.00 HIF1A (0.43) HIF1AADORA2AADORA2BLMNANT5E
SCHEMBL9393256 1.00 HIF1A (0.43) HIF1AADORA2AADORA2BLMNANT5E
Water SCHEMBL5144372 0.99 HIF1A (0.42) HIF1AADORA2AADORA2BLMNANT5E
SCHEMBL7643809 0.90 PYGL (0.38) HIF1AADORA2AADORA2BLMNANT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113980076-A Flame retardant and preparation method thereof 盐城工业职业技术学院 2022-01-28 CN claimed
WO-2018075264-A1 CHEMICALLY MODIFIED RNA APTAMERS AND USES THEREOF ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2018-04-26 WO disclosed
WO-2014011465-A2 APTAMER-TARGETED ANTIGEN DELIVERY ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2014-01-16 WO disclosed
WO-2013163303-A2 TRANSFERRIN RECEPTOR APTAMERS AND APTAMER-TARGETED DELIVERY ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2013-10-31 WO disclosed
WO-2011142798-A2 METHODS OF PREPARING TARGETED APTAMER PRODRUGS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2011-11-17 WO disclosed
US-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-02-19 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-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 HIF1A 698/4885ADORA2A 33/4885ADORA2B 46/4885

“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.