SCHEMBL340949

SCHEMBL340949

O=C1CC(c2cccc3c2OCO3)=Nc2ccc(N3CCOCC3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
PSMD14 O00487 1/20 0.36
EPHB4 P54760 1/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
AGXT P21549 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
TDO2 P48775 1/20 0.35
IDO2 Q6ZQW0 1/20 0.35
DRD2 P14416 2/20 0.35
HTR2A P28223 2/20 0.35
DRD3 P35462 2/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
KMO O15229 1/20 0.34
KIF11 P52732 2/20 0.34
MAP3K5 Q99683 2/20 0.34
PIK3CD O00329 1/20 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
SCHEMBL339600 0.92 ALDH1A1 (0.34) ATMAGXTMAPTDRD2
SCHEMBL339603 0.80 PRKDC (0.43) PSMD14NPC1MAPTRAB9ATDO2
SCHEMBL339151 0.77 MAPT (0.50) NPC1MAPTRAB9APIK3CAPRKDC
SCHEMBL339317 0.77 MAPT (0.44) NPC1MAPTRAB9APRKDCCNR2
SCHEMBL340508 0.76 FYN (0.48) NPC1MAPTRAB9AADORA2AADORA1
SCHEMBL340504 0.74 CDK1 (0.44) AGXTMAPTKIF11PIK3CDPIK3CA
SCHEMBL341305 0.74 KIF11 (0.46) MAPTADORA2AADORA1KIF11PIK3CD
SCHEMBL340990 0.74 CNR1 (0.53) ATMAGXTKIF11PIK3CGPRKDC
SCHEMBL339016 0.72 PRKDC (0.50) MAPTRAB9APIK3CDPIK3CAPIK3CB
SCHEMBL339919 0.71 MAPT (0.46) MAPTPRKDC

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 6 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 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 (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-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES SLC22A8, ABCC8, CYP2C8 ATM 3918/4885PSMD14 4468/4885EPHB4 4851/4885

“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.