SCHEMBL14472889

SCHEMBL14472889

Nc1ncnc2c1ncn2CO[C@H](CO)[C@H](O)CNC(=O)C(N)Cc1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.43
▸ DOT1L Q8TEK3 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ AHCY P23526 5/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA4 P22748 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ MMP2 P08253 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
SCHEMBL13248702 1.00 ATM (0.43) ATMDOT1LALDH1A1AHCYADORA2A
SCHEMBL14472999 0.77 AHCY (0.60) ALDH1A1AHCYADORA2A
SCHEMBL10284145 0.77 AHCY (0.60) ALDH1A1AHCYADORA2A
SCHEMBL13248701 0.76 EGFR (0.55) ALDH1A1AHCYADORA2A
SCHEMBL13248700 0.74 PI4KA (0.43) AHCYADORA2A
SCHEMBL14472890 0.74 PI4KA (0.43) AHCYADORA2A
SCHEMBL14139510 0.74 AHCY (0.56) ALDH1A1AHCYADORA2A
SCHEMBL14379019 0.72 ADORA2A (0.60) ALDH1A1AHCYADORA2A
SCHEMBL91115 0.72 CDK1 (0.55) ADORA2A
SCHEMBL2547442 0.71 CYP3A4 (0.47) ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070155699-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2007-07-05 — — 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-20070155699-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 ATM 4841/4885DOT1L 1762/4885ALDH1A1 3692/4885

“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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