SCHEMBL340708

SCHEMBL340708

O=C1CC(c2cccc(OCc3ccccc3)c2)=Nc2ccc(N3CCOCC3)cc21

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 6/20 0.54
ATM Q13315 2/20 0.54
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MCHR1 Q99705 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
AGXT P21549 1/20 0.41
ALKBH1 Q13686 1/20 0.41
GRM5 P41594 1/20 0.40
CYP3A4 P08684 1/20 0.40
LRRK2 Q5S007 1/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
PPARD Q03181 1/20 0.39

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
SCHEMBL339561 0.92 PRKDC (0.43) PRKDCATMKMT2AMCHR1GRM5
SCHEMBL340813 0.91 PRKDC (0.52) PRKDCATMALDH1A1MEN1KMT2A
SCHEMBL341204 0.84 MAPT (0.45) PRKDCATMALDH1A1MEN1KMT2A
SCHEMBL340990 0.84 CNR1 (0.53) PRKDCATMALDH1A1MEN1KMT2A
SCHEMBL340508 0.82 FYN (0.48) PRKDCALDH1A1ADORA2AADORA1
SCHEMBL340264 0.82 GSTP1 (0.45) PRKDCMCHR1
SCHEMBL339146 0.78 APP (0.42) MRGPRX4GRM5
SCHEMBL1263059 0.77 AGXT (0.61) PRKDCATMPTGS1PTGS2ALDH1A1
SCHEMBL341305 0.77 KIF11 (0.46) PRKDCADORA2AADORA1
SCHEMBL339016 0.76 PRKDC (0.50) PRKDCALDH1A1MEN1KMT2A

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 PRKDC 4128/4885ATM 3918/4885PTGS1 2563/4885

“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.