SCHEMBL20644586

SCHEMBL20644586

CC(C)c1ccnc(C(O)C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 2/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ ABL1 P00519 6/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ KDM5B Q9UGL1 2/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ CACNA1C Q13936 1/20 0.32
▸ TGFBR1 P36897 1/20 0.31
▸ PTPN5 P54829 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ TRPV3 Q8NET8 1/20 0.30
▸ CHRNA7 P36544 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
SCHEMBL6638889 0.80 TRPA1 (0.36) ADRB2ABL1KDM5BTRPA1PTGS1
SCHEMBL20909976 0.79 UHRF1 (0.42) OGAADRB2ABL1ALDH1A1
SCHEMBL1106513 0.77 CHRNA7 (0.37) ABL1TRPA1PTGS1CACNA1CALDH1A1
SCHEMBL25714879 0.77 HIF1A (0.37) ABL1TRPA1PTGS1CACNA1CALDH1A1
SCHEMBL11994360 0.76 SMARCA2 (0.38) CHRNA7
SCHEMBL11994365 0.76 CHRNA7 (0.33) ABL1TRPA1PTGS1CACNA1CALDH1A1
SCHEMBL18839509 0.75 NOS3 (0.36) OGAADRB2ABL1TGFBR1GAA
SCHEMBL30270070 0.75 KDM4E (0.39) OGAADRB2ABL1TGFBR1ALDH1A1
SCHEMBL18839547 0.75 KDM4E (0.39) OGAADRB2ABL1TGFBR1ALDH1A1
SCHEMBL29849938 0.75 ADRB2 (0.35) OGAADRB2ABL1PDK2TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10464922-B2 Metalloenzyme inhibitor compounds NQP 1598, LTD. (US) 2019-11-05 — — US disclosed
US-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 — — US disclosed
US-20190016700-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598, LTD. (KY) 2019-01-17 — — 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 (3 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-20190016700-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO OGA 797/4885ADRB2 4647/4885ABL1 134/4885
US-10464922-B2 Metalloenzyme inhibitor compounds MMEL1, GPX1, MPO OGA 797/4885ADRB2 4647/4885ABL1 134/4885
US-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 OGA 2943/4885ADRB2 4747/4885ABL1 590/4885

“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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