SCHEMBL383447

SCHEMBL383447

COc1cc(OS(=O)(=O)OC(F)(F)F)c2c(=O)c3ccc(Cl)cc3n(C)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.35
MAPK8 P45983 2/20 0.35
DYRK3 O43781 1/20 0.35
PIM1 P11309 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
DYRK1A Q13627 1/20 0.35
NTRK3 Q16288 1/20 0.35
PIM3 Q86V86 1/20 0.35
SRPK1 Q96SB4 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
EGFR P00533 2/20 0.34
KDM1A O60341 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAT2A P31153 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 2/20 0.31
ABCG2 Q9UNQ0 1/20 0.31

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
SCHEMBL383709 0.87 KDM1A (0.47) NTRK1L3MBTL1KDM1AMEN1KMT2A
SCHEMBL384499 0.75 EGFR (0.54) NTRK1L3MBTL1MAPK8EGFRKDM1A
SCHEMBL10168171 0.74 KDM1A (0.48) NTRK1L3MBTL1KDM1AMEN1KMT2A
SCHEMBL24155343 0.67 L3MBTL1 (0.52) NTRK1L3MBTL1MEN1KMT2AMAPK1
SCHEMBL26229312 0.67 NTRK1 (0.50) NTRK1L3MBTL1MAPK8KDM1AMEN1
SCHEMBL384699 0.66 L3MBTL1 (0.55) NTRK1L3MBTL1KDM1AMEN1KMT2A
SCHEMBL18288081 0.64 L3MBTL1 (0.60) NTRK1L3MBTL1DYRK1AEGFRMEN1
SCHEMBL31087387 0.64 MGAM (0.51) L3MBTL1EGFRKDM1A
SCHEMBL383854 0.62 MAPT (0.46) NTRK1MAPK8PIM1MAPK9DYRK1A
SCHEMBL9796274 0.61 NTRK1 (0.41) NTRK1MAPK8KMT2AMAT2AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1330456-B8 N8,N13 -DISUBSTITUTED QUINO[4,3,2-KL]ACRIDINIUM SALTS AS THERAPEUTIC AGENTS CANCER REC TECH LTD (GB) 2012-02-08 EP disclosed
EP-1330456-B9 N8,N13 -DISUBSTITUTED QUINO[4,3,2-KL]ACRIDINIUM SALTS AS THERAPEUTIC AGENTS CANCER REC TECH LTD (GB) 2012-01-25 EP disclosed
EP-1330456-B1 N8,N13 -DISUBSTITUTED QUINO[4,3,2-KL]ACRIDINIUM SALTS AS THERAPEUTIC AGENTS CANCER REC TECH LTD (GB) 2011-06-15 EP disclosed
US-7115619-B2 N8, N13 -disubstituted quino[4,3,2-kl]acridinium salts as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-10-03 US disclosed
US-20040063739-A1 N8, n13 -disubstituted quino[4,3,2-kl]acridinium salts as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-04-01 US disclosed
EP-1330456-A2 N8,N13 -DISUBSTITUTED QUINO 4,3,2-KL]ACRIDINIUM SALTS AS THERAPEUTIC AGENTS Cancer Research Technology Limited (GB) 2003-07-30 EP disclosed
WO-2002030932-A2 N8,N13-DISUBSTITUTED QUINO[4,3,2-KL]ACRIDINIUM SALTS AS THERAPEUTIC AGENTS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2002-04-18 WO 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-20040063739-A1 N8, n13 -disubstituted quino[4,3,2-kl]acridinium salts as therapeutic agents TERT, MKI67, NQO2 NTRK1 1952/4885L3MBTL1 1663/4885MAPK8 718/4885

“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.