SCHEMBL6794325

SCHEMBL6794325

FC(F)(F)c1c2cc(I)ccc2nc2ncccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.40
ABCG2 Q9UNQ0 2/20 0.36
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
XPO1 O14980 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
DYRK1A Q13627 1/20 0.33
CYP3A4 P08684 1/20 0.33
BACE1 P56817 1/20 0.32
PARP1 P09874 1/20 0.32
LMNA P02545 1/20 0.32
DHODH Q02127 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
GRM4 Q14833 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32

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
SCHEMBL6718657 0.83 NR4A2 (0.41) HCAR2ABCG2MAPTCDK8DHODH
SCHEMBL15346406 0.82 HCAR2 (0.46) HCAR2ABCG2KDM4EMAPTXPO1
SCHEMBL6713591 0.73 HCAR2 (0.40) HCAR2ABCG2KDM4EPARP1DHODH
SCHEMBL6711937 0.70 HCAR2 (0.41) HCAR2ABCG2XPO1LMNAKIF11
SCHEMBL15203033 0.69 KIF11 (0.35) KDM4EMAPTBACE1KIF11
SCHEMBL15646458 0.69 RORC (0.47) KDM4EMAPTTUBB4ATUBBTUBA3C
SCHEMBL15203044 0.66 NOTUM (0.34)
SCHEMBL23618593 0.66 ALDH1A1 (0.43) HCAR2ABCG2KDM4EMAPTCYP3A4
SCHEMBL24604916 0.66 DHODH (0.41) HCAR2ABCG2KDM4EMAPTCYP3A4
SCHEMBL359732 0.63 NPC1 (0.63) KDM4EMAPTDYRK1ACYP3A4LMNA

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-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-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 (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-20020177603-A1 Tricyclic compounds useful as HIV reverse transcriptase inhibitors POLRMT, TYMP, POLM HCAR2 3735/4885ABCG2 793/4885KDM4E 3147/4885

“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.