SCHEMBL5694118

SCHEMBL5694118

Nc1nc(F)nc2c1ncn2C(=O)COc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GSK3B P49841 1/20 0.40
▸ SERPINA3 P01011 1/20 0.39
▸ AHCY P23526 3/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ NT5E P21589 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CA5A P35218 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CPT1A P50416 1/20 0.37

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
SCHEMBL5694103 0.86 CFTR (0.46) KMT2AMEN1GSK3BNT5E
SCHEMBL5694209 0.81 GSK3B (0.61) KMT2AMEN1GSK3BLMNAADORA2A
SCHEMBL28935385 0.79 AHCY (0.48) GSK3BSERPINA3AHCYLMNANT5E
SCHEMBL5694098 0.78 XDH (0.54) KMT2AMEN1LMNAHIF1ASMN1; SMN2
SCHEMBL5694228 0.74 AHCY (0.46) GSK3BAHCYLMNANT5EHIF1A
SCHEMBL2385400 0.68 TK1 (0.40) KMT2AMEN1CPT1A
SCHEMBL3231404 0.68 KMT2A (0.49) KMT2AMEN1ALOX15LMNANPC1
SCHEMBL5694081 0.68 KMT2A (0.46) KMT2AMEN1ALOX15KDM4ESMN1; SMN2
SCHEMBL16401533 0.68 GSK3B (0.55) KMT2AMEN1GSK3BAHCYLMNA
SCHEMBL17450225 0.68 CDK1 (0.49) ALOX15NPC1HIF1AKDM4EADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060167241-A1 Method for synthesizing cyclic bisdinucleoside MITSUI CHEMICALS, INC. (JP) 2006-07-27 — — US disclosed
EP-1645561-A1 METHOD OF SYNTHESIZING CYCLIC BISDINUCLEOSIDE Mitsui Chemicals, Inc. (JP) 2006-04-12 — — EP 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-20060167241-A1 Method for synthesizing cyclic bisdinucleoside NSUN2, POLR2H, POLB KMT2A 1088/4885MEN1 467/4885GSK3B 1722/4885

“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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