SCHEMBL14473043

SCHEMBL14473043

COc1cccc(C(=O)N[C@H](CO)[C@@H](CO)OCn2cnc3c(N)ncnc32)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 1/20 0.45
▸ PI4K2B Q8TCG2 1/20 0.45
▸ PI4K2A Q9BTU6 1/20 0.45
▸ PI4KB Q9UBF8 1/20 0.45
▸ EGFR P00533 2/20 0.43
▸ NSD3 Q9BZ95 1/20 0.42
▸ PIK3CD O00329 1/20 0.42
▸ CHKA P35790 1/20 0.42
▸ SRC P12931 2/20 0.42
▸ MAP4K4 O95819 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ TDP2 O95551 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ AHCY P23526 1/20 0.39
▸ ADORA2A P29274 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
SCHEMBL13248700 0.87 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL14472890 0.87 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL14379019 0.71 ADORA2A (0.60) PI4KAPI4K2BPI4K2API4KBCYP3A4
SCHEMBL11347140 0.70 POLB (0.54) NSD3CHKA
SCHEMBL14472999 0.70 AHCY (0.60) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL10284145 0.70 AHCY (0.60) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL10818140 0.69 ADORA2A (0.50) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL13224609 0.68 GAPDH (0.70) —
SCHEMBL14470603 0.68 GAPDH (0.62) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL7684248 0.68 GAPDH (0.70) —

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 PI4KA 3647/4885PI4K2B 2641/4885PI4K2A 3623/4885

“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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