SCHEMBL6715225

SCHEMBL6715225

CC(F)(F)C(=O)c1cccnc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 2/20 0.59
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
MYC P01106 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.39
AGER Q15109 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 1/20 0.38
P2RX7 Q99572 1/20 0.38
DHODH Q02127 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL13542934 0.87 NAPRT (0.61) NAPRTKDM4ETDP1MYCMAPT
SCHEMBL1495303 0.85 NAPRT (0.63) NAPRTKDM4ETDP1MAPTALDH1A1
SCHEMBL6710903 0.81 LMNA (0.58) TDP1L3MBTL1SMN1; SMN2LMNAHTT
SCHEMBL1811012 0.77 NAPRT (0.68) NAPRTKDM4ETDP1MYCMAPT
SCHEMBL27612856 0.77 NAPRT (0.73) NAPRTKDM4ETDP1MAPTALDH1A1
SCHEMBL16415899 0.76 NAPRT (0.56) NAPRTKDM4ETDP1MAPTALDH1A1
SCHEMBL1036048 0.76 NAPRT (0.56) NAPRTKDM4ETDP1MYCMAPT
SCHEMBL28705950 0.75 NAPRT (0.70) NAPRTKDM4ETDP1MYCMAPT
SCHEMBL29574424 0.75 NAPRT (1.00) NAPRTKDM4ETDP1MYCMAPT
SCHEMBL19280924 0.75 NAPRT (1.00) NAPRTKDM4ETDP1MYCMAPT

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-20040002498-A1 Tricyclic compounds useful as HIV reverse transcriptase inhibitors JOHNSON BARRY L (US) 2004-01-01 US disclosed
US-6593337-B1 pharmaceutical compositions and diagnostic kits comprising the same, and methods of using the same for treating viral infection or as an assay standard or reagent. BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-07-15 US disclosed
CN-1409711-A Fused naphthalene dinitrogen compound useful as HIV reverse transcriptase inhibitors BRISTOL MYERS SQUIBB PHARMACEU (US) 2003-04-09 CN 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-20040002498-A1 Tricyclic compounds useful as HIV reverse transcriptase inhibitors POLRMT, TYMP, POLM NAPRT 367/4885KDM4E 3147/4885TDP1 161/4885

“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.