SCHEMBL339137

SCHEMBL339137

O=C1CC(c2cccc3cc4ccccc4cc23)=Nc2cc3c(cc21)OCO3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.35
CDK2 P24941 1/20 0.35
TSHR P16473 4/20 0.34
PKM P14618 3/20 0.34
KDM4E B2RXH2 7/20 0.33
ALDH1A1 P00352 7/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
HPGD P15428 4/20 0.33
KMT2A Q03164 4/20 0.33
HSD17B10 Q99714 4/20 0.33
MEN1 O00255 3/20 0.33
MAPT P10636 3/20 0.33
TP53 P04637 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTPRC P08575 1/20 0.33
LMNA P02545 4/20 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
SCHEMBL338692 0.90 KDM4E (0.40) ALOX5CDK2TSHRPKMKDM4E
SCHEMBL339155 0.81 GSTP1 (0.39) ALOX5PKMKDM4EALDH1A1SMN1; SMN2
SCHEMBL18280773 0.80 NPC1 (0.43) TSHRPKMALDH1A1PTPRCNPC1
SCHEMBL339694 0.79 ACVR1 (0.37) SMN1; SMN2HPGDMAPTTP53NPC1
SCHEMBL340954 0.79 AURKA (0.39) SMN1; SMN2MAPTTP53NPC1RAB9A
SCHEMBL340826 0.76 MAPT (0.38) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL341068 0.76 PDE3B (0.39) PKMKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL340140 0.76 NFKB1 (0.36) KDM4EALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL340238 0.76 MAOB (0.36) CYP2C9
SCHEMBL340294 0.76 MAPT (0.51) TSHRPKMKDM4EALDH1A1SMN1; 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
US-8524740-B2 Synthesis and anticancer activity of aryl and heteroaryl-quinolin derivatives TAIRX, INC. (TW) 2013-09-03 US claimed
EP-2593435-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Tairx, Inc. (TW) 2013-05-22 EP claimed
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Efficient Pharma Management Corporate (TW) 2012-01-19 US claimed
WO-2012009519-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES EFFICIENT PHARMA MANAGEMENT CORP. (TW) 2012-01-19 WO claimed
EP-3302488-B1 NOVEL USE OF ARYL-QUINOLIN DERIVATIVES AS INHIBITORS OF VASCULOGENIC MIMICRY TAIRX INC (TW) 2020-09-30 EP disclosed
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
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Efficient Pharma Management Corporate (TW) 2012-01-19 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-20160354361-A1 NOVEL USE OF ARYL-QUINOLIN DERIVATIVES AS INHIBITORS OF VASCULOGENIC MIMICRY TEK, FLT1, VHL ALOX5 1075/4885CDK2 244/4885TSHR 3258/4885
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES SLC22A8, ABCC8, CYP2C8 ALOX5 1085/4885CDK2 621/4885TSHR 1422/4885

“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.