SCHEMBL339561

SCHEMBL339561

O=C1CC(c2cccc(OCc3ccccc3)c2)=Nc2ccc(N3CCCC3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.43
ATM Q13315 1/20 0.43
GRM5 P41594 1/20 0.42
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
BRD4 O60885 1/20 0.41
AURKA O14965 1/20 0.40
ROCK2 O75116 1/20 0.40
PAK4 O96013 1/20 0.40
CHEK2 O96017 1/20 0.40
INSR P06213 1/20 0.40
LCK P06239 1/20 0.40
CSF1R P07333 1/20 0.40
LYN P07948 1/20 0.40
IGF1R P08069 1/20 0.40
FGFR1 P11362 1/20 0.40
RPS6KB1 P23443 1/20 0.40
MARK3 P27448 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL340708 0.92 PRKDC (0.54) PRKDCATMGRM5MCHR1KMT2A
SCHEMBL340264 0.90 GSTP1 (0.45) PRKDCMAOAMAOBMCHR1KCNH2
SCHEMBL341007 0.83 MAPT (0.51) PDE3BPDE3AUSP2MAPTMAPK1
SCHEMBL339659 0.83 LRRK2 (0.43) PRKDCATMBRD4CNR1CNR2
SCHEMBL340813 0.82 PRKDC (0.52) PRKDCATMMCHR1MAPTKMT2A
SCHEMBL340004 0.81 KIF11 (0.43) USP2MAPTKMT2A
SCHEMBL339146 0.80 APP (0.42) GRM5MAOAMAOBBRD4ALOX5
SCHEMBL8322225 0.75 MAOB (0.58) GRM5MAOAMAOBALOX5
SCHEMBL341204 0.75 MAPT (0.45) PRKDCATMCSF1RCNR1CNR2
SCHEMBL340110 0.75 KIF11 (0.43) PDE3BPDE3AMAPTKMT2AESR2

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
WO-2012009519-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES EFFICIENT PHARMA MANAGEMENT CORP. (TW) 2012-01-19 WO 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 (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 3918/4885GRM5 4101/4885

“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.