SCHEMBL6711937

SCHEMBL6711937

FC(F)(F)c1c2cccnc2nc2ncc(Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
IDO1 P14902 1/20 0.35
KIF11 P52732 1/20 0.35
ABCG2 Q9UNQ0 3/20 0.34
CCR1 P32246 1/20 0.34
CCR8 P51685 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
XPO1 O14980 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
NR4A2 P43354 2/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ACHE P22303 2/20 0.33
CYP19A1 P11511 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL6713575 0.87 HTT (0.50) HTTHSD17B10IDO1L3MBTL1
SCHEMBL6718657 0.81 NR4A2 (0.41) HCAR2IDO1ABCG2NR4A2
SCHEMBL15346406 0.73 HCAR2 (0.46) HCAR2ABCG2XPO1ALDH1A1
SCHEMBL6710925 0.70 NR4A2 (0.40) HCAR2IDO1ABCG2NR4A2ALDH1A1
SCHEMBL1519321 0.70 NR4A2 (0.47) HTTHSD17B10CCR1CCR8L3MBTL1
SCHEMBL6794325 0.70 HCAR2 (0.40) HCAR2IDO1KIF11ABCG2XPO1
SCHEMBL4421954 0.67 HSD17B10 (0.46) HTTHSD17B10IDO1
SCHEMBL26859106 0.67 HCAR2 (0.41) HCAR2HTTHSD17B10IDO1ABCG2
SCHEMBL3454725 0.66 LMNA (0.41) HTTHSD17B10L3MBTL1MAOBLMNA
SCHEMBL14189993 0.65 HTT (0.44) HTTHSD17B10IDO1XPO1LMNA

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 2 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

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 HCAR2 3735/4885HTT 2749/4885HSD17B10 353/4885

“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.