SCHEMBL20964641

SCHEMBL20964641

Clc1ncnc2c1ncn2SI

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.41
▸ P2RX7 Q99572 2/20 0.39
▸ HDAC6 Q9UBN7 3/20 0.37
▸ FGFR1 P11362 9/20 0.35
▸ FGFR4 P22455 9/20 0.35
▸ DGAT1 O75907 1/20 0.32
▸ PI4KA P42356 1/20 0.32
▸ PI4K2B Q8TCG2 1/20 0.32
▸ PI4K2A Q9BTU6 1/20 0.32
▸ PI4KB Q9UBF8 1/20 0.32
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ TYMP P19971 1/20 0.30

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
SCHEMBL1868819 0.75 FDPS (0.44) FDPSP2RX7HDAC6FGFR1FGFR4
SCHEMBL26348841 0.75 FDPS (0.44) FDPSP2RX7HDAC6FGFR1FGFR4
SCHEMBL20964623 0.74 AHCY (0.31) —
SCHEMBL30572667 0.71 ADORA1 (0.60) FDPSP2RX7HDAC6FGFR1FGFR4
SCHEMBL130453 0.71 ADORA1 (0.60) FDPSP2RX7HDAC6FGFR1FGFR4
SCHEMBL27960571 0.71 FDPS (0.44) FDPSP2RX7HDAC6FGFR1FGFR4
SCHEMBL18499505 0.70 SLC22A12 (0.42) FGFR1FGFR4PDE4APDE4BPDE4C
SCHEMBL18500771 0.70 FDPS (0.41) FDPSP2RX7HDAC6FGFR1FGFR4
SCHEMBL28003435 0.69 FDPS (0.43) FDPSP2RX7HDAC6FGFR1FGFR4
SCHEMBL6670287 0.68 FDPS (0.42) FDPSP2RX7HDAC6FGFR1FGFR4

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-20190127397-A1 Complexes for Nucleophilic, Radical, and Electrophilic Polyfluoroalkylation THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-05-02 — — 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-20190127397-A1 Complexes for Nucleophilic, Radical, and Electrophilic Polyfluoroalkylation NBAS, PFAS, PCBP1 FDPS 679/4885P2RX7 3515/4885HDAC6 1461/4885

“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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