SCHEMBL8737548

SCHEMBL8737548

COc1ccc2nc(-c3cccc(F)c3)cc(OP(=O)(O)O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 15/20 0.56
SMN1; SMN2 Q16637 10/20 0.56
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
PLA2G2A P14555 3/20 0.47
ALDH1A1 P00352 13/20 0.46
HPGD P15428 12/20 0.46
MAPT P10636 11/20 0.46
LMNA P02545 8/20 0.46
HTT P42858 3/20 0.46
GAA P10253 3/20 0.45
THRB P10828 1/20 0.45
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL13232476 0.83 KDM4E (0.52) KDM4ESMN1; SMN2KMT2AMEN1PLA2G2A
SCHEMBL8737365 0.83 KDM4E (0.49) KDM4ESMN1; SMN2KMT2AMEN1PLA2G2A
SCHEMBL15275250 0.83 HPN (0.42) KDM4ESMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL2794288 0.81 DHODH (0.55) KDM4ESMN1; SMN2KMT2AMEN1PLA2G2A
SCHEMBL15998647 0.80 KDM4E (0.54) KDM4ESMN1; SMN2KMT2AMEN1PLA2G2A
SCHEMBL2793085 0.80 DHODH (0.54) KDM4ESMN1; SMN2KMT2AMEN1PLA2G2A
SCHEMBL339979 0.80 PDGFRB (0.42) KDM4ESMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL2798780 0.77 KMT2A (0.45) KDM4ESMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL15579401 0.77 KDM4E (0.73) KDM4ESMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL10200069 0.76 PDGFRB (0.39) KDM4ESMN1; SMN2KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029394-B2 2-phenyl-4-quinolones as anticancer agents CHINA MEDICAL UNIVERSITY (TW) 2015-05-12 US disclosed
US-9023867-B2 Hydrophilic derivatives of 2-selenophene-4-quinolones as anticancer agents CHINA MEDICAL UNIVERSITY (TW) 2015-05-05 US disclosed
US-9023866-B2 2-selenophene-4-quinolones as anticancer agents CHINA MEDICAL UNIVERSITY (TW) 2015-05-05 US disclosed
EP-2468747-B1 2-Selenophene-4-quinolones as anticancer agents UNIV CHINA MEDICAL (TW) 2014-09-03 EP disclosed
US-20130252999-A1 2-PHENYL-4-QUINOLONES AS ANTICANCER AGENTS CHINA MEDICAL UNIVERSITY (TW) 2013-09-26 US disclosed
US-20130253006-A1 2-SELENOPHENE-4-QUINOLONES AS ANTICANCER AGENTS CHINA MEDICAL UNIVERSITY (TW) 2013-09-26 US disclosed
US-8440692-B2 Hydrophilic derivatives of 2-aryl-4-quinolones as anticancer agents CHINA MEDICAL UNIVERSITY (TW) 2013-05-14 US disclosed
US-8440692-B2 Hydrophilic derivatives of 2-aryl-4-quinolones as anticancer agents CHINA MEDICAL UNIVERSITY (TW) 2013-05-14 US disclosed
EP-2468747-A1 2-Selenophene-4-quinolones as anticancer agents China Medical University (TW) 2012-06-27 EP disclosed
EP-2455369-A1 Derivatives of 2-aryl-4-quinolones having an aminoalkyl group as anticancer agents China Medical University (TW) 2012-05-23 EP disclosed
US-20100168064-A1 NOVEL HYDROPHILIC DERIVATIVES OF 2-ARYL-4-QUINOLONES AS ANTICANCER AGENTS CHINA MEDICAL UNIVERSITY (TW) 2010-07-01 US disclosed
US-20100168064-A1 NOVEL HYDROPHILIC DERIVATIVES OF 2-ARYL-4-QUINOLONES AS ANTICANCER AGENTS CHINA MEDICAL UNIVERSITY (TW) 2010-07-01 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 (3 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-20130253006-A1 2-SELENOPHENE-4-QUINOLONES AS ANTICANCER AGENTS DDX5, DHX30, PPIP5K2 KDM4E 2292/4885SMN1; SMN2 4456/4885KMT2A 2349/4885
US-20100168064-A1 NOVEL HYDROPHILIC DERIVATIVES OF 2-ARYL-4-QUINOLONES AS ANTICANCER AGENTS DHX30, SLC20A2, DDX20 KDM4E 2310/4885SMN1; SMN2 4695/4885KMT2A 2887/4885
US-20130252999-A1 2-PHENYL-4-QUINOLONES AS ANTICANCER AGENTS PPIP5K2, DDX5, DHX30 KDM4E 1763/4885SMN1; SMN2 4616/4885KMT2A 2429/4885

“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.