SCHEMBL340945

SCHEMBL340945

CC(=O)c1cc(N2CCOCC2)ccc1N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 4/20 0.67
MAPT P10636 6/20 0.63
LGMN Q99538 4/20 0.58
IP6K1 Q92551 1/20 0.55
ATM Q13315 1/20 0.51
PIK3CD O00329 2/20 0.47
PIK3CA P42336 2/20 0.47
PIK3CB P42338 2/20 0.47
PIK3CG P48736 2/20 0.47
ALDH1A1 P00352 4/20 0.47
KMO O15229 1/20 0.47
ALOX15 P16050 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46

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
SCHEMBL14551894 0.88 PRKDC (0.71) PRKDCMAPTLGMNATMPIK3CD
SCHEMBL30590429 0.88 PRKDC (0.71) PRKDCMAPTLGMNATMPIK3CD
Hydrochloric Acid SCHEMBL7745975 0.87 PRKDC (0.69) PRKDCMAPTLGMNATMPIK3CD
SCHEMBL939936 0.86 IP6K1 (0.74) PRKDCMAPTLGMNIP6K1PIK3CD
SCHEMBL144733 0.86 LGMN (0.59) PRKDCMAPTLGMNIP6K1PIK3CD
SCHEMBL341383 0.86 IP6K1 (0.73) PRKDCMAPTIP6K1ALDH1A1ALOX15
SCHEMBL11736864 0.84 IP6K1 (0.71) PRKDCMAPTIP6K1ALDH1A1ALOX15
SCHEMBL1231926 0.84 LGMN (0.54) PRKDCMAPTLGMNIP6K1ATM
SCHEMBL9344830 0.84 LGMN (0.54) PRKDCMAPTLGMNIP6K1ALDH1A1
SCHEMBL10739901 0.83 MAPT (0.59) PRKDCMAPTIP6K1ALDH1A1KDM4E

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 5 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
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 4128/4885MAPT 4760/4885LGMN 3729/4885

“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.