SCHEMBL6718657

SCHEMBL6718657

FC(F)(F)c1c2cc(Cl)ccc2nc2ncccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.41
HCAR2 Q8TDS4 1/20 0.40
IDO1 P14902 1/20 0.40
DHODH Q02127 2/20 0.38
ABCG2 Q9UNQ0 2/20 0.38
DAPK3 O43293 1/20 0.37
ABL1 P00519 1/20 0.37
PDGFRB P09619 1/20 0.37
CDK8 P49336 1/20 0.37
CLK2 P49760 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
ACVR1 Q04771 1/20 0.37
TYRO3 Q06418 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
MAPK1 P28482 1/20 0.36
MAPT P10636 2/20 0.36
GFER P55789 1/20 0.36
TUBB4A P04350 1/20 0.35

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
SCHEMBL6710925 0.89 NR4A2 (0.40) NR4A2HCAR2IDO1DHODHABCG2
SCHEMBL6794325 0.83 HCAR2 (0.40) HCAR2IDO1DHODHABCG2CDK8
SCHEMBL15346406 0.82 HCAR2 (0.46) HCAR2DHODHABCG2MAPT
SCHEMBL6711937 0.81 HCAR2 (0.41) NR4A2HCAR2IDO1ABCG2
SCHEMBL6710746 0.80 IDO1 (0.42) NR4A2HCAR2IDO1DHODHABCG2
SCHEMBL6713591 0.73 HCAR2 (0.40) HCAR2IDO1DHODHABCG2
SCHEMBL6527179 0.69 IDO1 (0.45) NR4A2HCAR2IDO1ABCG2MAPK1
SCHEMBL6524942 0.69 IDO1 (0.45) NR4A2HCAR2IDO1ABCG2MAPK1
SCHEMBL9822370 0.68 CYP3A4 (0.63) NR4A2CDK8MAPK1MAPT
SCHEMBL5390307 0.68 ACHE (0.42) NR4A2NT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825210-B2 5,10-DIHYDROBENZO(B)(1,8)NAPHTHYRIDINE COMPOUNDS, N-OXIDES; 3,7-DICHLORO-5-ISOPROPOXYMETHYL-5-TRIFLUOROMETHYL-5,10 -DIHYDROBENZO(B)(1,8)NAPHTHYRIDINE FOR EXAMPLE; COMBINATION THERAPY BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-11-30 US disclosed
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
US-20020177603-A1 Tricyclic compounds useful as HIV reverse transcriptase inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (FORMERLY DUPONT PHARMACEUTICALS COMPANY) 2002-11-28 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 (2 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-20020177603-A1 Tricyclic compounds useful as HIV reverse transcriptase inhibitors POLRMT, TYMP, POLM NR4A2 3318/4885HCAR2 3735/4885IDO1 1386/4885
US-20040002498-A1 Tricyclic compounds useful as HIV reverse transcriptase inhibitors POLRMT, TYMP, POLM NR4A2 3318/4885HCAR2 3735/4885IDO1 1386/4885

“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.