SCHEMBL339680

SCHEMBL339680

COc1ccc2nc(-c3cccc(F)c3)cc(OP(=O)(OCc3ccccc3)OCc3ccccc3)c2c1OP(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.39
KDM4E B2RXH2 9/20 0.39
ALDH1A1 P00352 8/20 0.39
MAPT P10636 8/20 0.39
SMN1; SMN2 Q16637 7/20 0.39
LMNA P02545 5/20 0.39
HTT P42858 2/20 0.39
THRB P10828 1/20 0.38
DHODH Q02127 2/20 0.38
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
RELA Q04206 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 2/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ACACA Q13085 1/20 0.35
PDE4A P27815 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
SCHEMBL10199949 0.96 HPGD (0.37) HPGDKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL15233650 0.85 PDGFRB (0.37) KDM4EMAPTSMN1; SMN2DHODHPDGFRB
SCHEMBL13232476 0.83 KDM4E (0.52) HPGDKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL339979 0.81 PDGFRB (0.42) HPGDKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL15257151 0.79 MAPT (0.42) HPGDKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL13232471 0.77 DHODH (0.46) HPGDKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL18040600 0.76 HPGD (0.49) HPGDKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL10200069 0.76 PDGFRB (0.39) HPGDKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL13232467 0.74 MAPT (0.40) HPGDKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL10200418 0.72 KDM4E (0.38) HPGDKDM4EALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3112348-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Tairx, Inc. (TW) 2017-01-04 EP claimed
EP-2593435-B1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES TAIRX INC (TW) 2016-09-07 EP claimed
US-8524740-B2 Synthesis and anticancer activity of aryl and heteroaryl-quinolin derivatives TAIRX, INC. (TW) 2013-09-03 US claimed
US-9717721-B2 Use of aryl-quinolin derivatives as inhibitors of vasculogenic mimicry TAIRX, INC. (TW) 2017-08-01 US disclosed
EP-3112348-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Tairx, Inc. (TW) 2017-01-04 EP disclosed
US-20160354361-A1 NOVEL USE OF ARYL-QUINOLIN DERIVATIVES AS INHIBITORS OF VASCULOGENIC MIMICRY TAIRX INC. (TW) 2016-12-08 US disclosed
EP-2593435-B1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES TAIRX INC (TW) 2016-09-07 EP disclosed
US-8524740-B2 Synthesis and anticancer activity of aryl and heteroaryl-quinolin derivatives TAIRX, INC. (TW) 2013-09-03 US disclosed
EP-2593435-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Tairx, Inc. (TW) 2013-05-22 EP disclosed
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Efficient Pharma Management Corporate (TW) 2012-01-19 US disclosed
WO-2012009519-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES EFFICIENT PHARMA MANAGEMENT CORP. (TW) 2012-01-19 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 (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-20160354361-A1 NOVEL USE OF ARYL-QUINOLIN DERIVATIVES AS INHIBITORS OF VASCULOGENIC MIMICRY TEK, FLT1, VHL HPGD 303/4885KDM4E 1014/4885ALDH1A1 1091/4885
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES SLC22A8, ABCC8, CYP2C8 HPGD 1841/4885KDM4E 4748/4885ALDH1A1 1258/4885

“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.