SCHEMBL16618012

SCHEMBL16618012

COc1cc2c(-c3ccccc3OC)c(C#N)c(N)nc2cc1OCCCN1CCN(C)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIOK3 O14730 2/20 0.54
SRC P12931 7/20 0.53
ABL1 P00519 2/20 0.49
EGFR P00533 2/20 0.49
SYK P43405 2/20 0.49
FLT1 P17948 1/20 0.49
KDR P35968 1/20 0.49
FYN P06241 2/20 0.48
WEE2 P0C1S8 2/20 0.48
WEE1 P30291 2/20 0.48
PKMYT1 Q99640 2/20 0.48
STK25 O00506 1/20 0.47
CIT O14578 1/20 0.47
MAP2K7 O14733 1/20 0.47
CHEK1 O14757 1/20 0.47
CASK O14936 1/20 0.47
GAK O14976 1/20 0.47
EPHB6 O15197 1/20 0.47
MAP3K13 O43283 1/20 0.47
MAP3K7 O43318 1/20 0.47

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
SCHEMBL16618011 0.78 LMNA (0.45) RIOK3SRCABL1EGFRSYK
SCHEMBL27576302 0.76 KDM4E (0.49) KDM4EALDH1A1HPGD
SCHEMBL28416197 0.73 SRC (0.69) RIOK3SRCABL1EGFRSYK
SCHEMBL6223729 0.72 ALDH1A1 (0.67) KDM4EALDH1A1HPGD
SCHEMBL7913439 0.72 KDM4E (0.60) EGFRCLK1KDM4EALDH1A1HPGD
SCHEMBL4423943 0.72 EHMT2 (0.59) EGFRFLT1KDRRETPDGFRB
SCHEMBL27470171 0.71 ADORA2A (0.58) ADRA2AKDM4EALDH1A1HPGD
SCHEMBL4489514 0.71 WEE2 (0.71) RIOK3SRCABL1EGFRSYK
SCHEMBL27567510 0.71 ADORA2A (0.47) KDRKDM4EALDH1A1HPGD
SCHEMBL7202389 0.70 ALDH1A1 (0.43) SRCEGFRFYNACHEMAP2K1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150098993-A1 COMPOSITIONS, PROCESS OF PREPARATION OF SAID COMPOSITIONS AND METHOD OF TREATING INFLAMMATORY DISEASES CELLWORKS GROUP, INC. 2015-04-09 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-20150098993-A1 COMPOSITIONS, PROCESS OF PREPARATION OF SAID COMPOSITIONS AND METHOD OF TREATING INFLAMMATORY DISEASES TNF, C5, IL5 RIOK3 2820/4885SRC 1638/4885ABL1 372/4885

“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.