SCHEMBL339694

SCHEMBL339694

O=C1CC(c2cccc3ncccc23)=Nc2cc3c(cc21)OCO3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 4/20 0.37
HPGD P15428 1/20 0.35
CREBBP Q92793 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
ERN1 O75460 2/20 0.33
NPC1 O15118 1/20 0.33
ESR1 P03372 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
PTK2B Q14289 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AURKA O14965 1/20 0.33
TTK P33981 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
ALOX15 P16050 2/20 0.33

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
SCHEMBL340954 0.93 AURKA (0.39) ACVR1CREBBPNPC1ESR1TP53
SCHEMBL338692 0.83 KDM4E (0.40) HPGDCA1CA2TP53MAPT
SCHEMBL339137 0.79 ALOX5 (0.35) HPGDNPC1TP53MAPTRAB9A
SCHEMBL18280773 0.76 NPC1 (0.43) NPC1
SCHEMBL340238 0.74 MAOB (0.36) CA1CA2ERN1
SCHEMBL340140 0.74 NFKB1 (0.36) HPGDCA1CA2NPC1TP53
SCHEMBL340183 0.73 TDP2 (0.40) CREBBPCA12CA1CA2CA9
SCHEMBL340294 0.72 MAPT (0.51) HPGDNPC1TP53MAPTRAB9A
SCHEMBL339693 0.70 NPC1 (0.61) NPC1
SCHEMBL339155 0.69 GSTP1 (0.39) HPGDNPC1TP53MAPTRAB9A

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
WO-2012009519-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES EFFICIENT PHARMA MANAGEMENT CORP. (TW) 2012-01-19 WO claimed
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Efficient Pharma Management Corporate (TW) 2012-01-19 US 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 ACVR1 1229/4885HPGD 303/4885CREBBP 1097/4885
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES SLC22A8, ABCC8, CYP2C8 ACVR1 4764/4885HPGD 1841/4885CREBBP 4435/4885

“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.