SCHEMBL13429032

SCHEMBL13429032

O=c1cc(Oc2cccc(-c3ccc(NCCN4CCOCC4)nc3)c2)c2ccccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.48
PARP1 P09874 1/20 0.46
FYN P06241 3/20 0.45
CYP1A2 P05177 4/20 0.45
CYP3A4 P08684 4/20 0.45
CYP2D6 P10635 4/20 0.45
CLK4 Q9HAZ1 3/20 0.45
USP2 O75604 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PIM1 P11309 1/20 0.43
ATR Q13535 1/20 0.43
HSD17B10 Q99714 3/20 0.42
EIF2AK2 P19525 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
HIF1A Q16665 1/20 0.42
SYK P43405 2/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL13429051 0.93 KDR (0.48) KDRPARP1FYNATRHSD17B10
SCHEMBL13429235 0.82 CNR2 (0.51) ATRSYK
SCHEMBL3225063 0.81 ABL1 (0.44) KDRPIM1KMT2A
SCHEMBL7933316 0.80 CNR1 (0.47) PARP1ALDH1A1LMNAKMT2AKDM4E
SCHEMBL13429296 0.80 LTA4H (0.41) PARP1LMNAKMT2AKDM4EGAA
SCHEMBL13429239 0.78 KDM4E (0.53) PARP1ALDH1A1HSD17B10ALOX15KDM4E
SCHEMBL3224822 0.78 DRD2 (0.42) KMT2AGAATERT
SCHEMBL13429232 0.77 KIF11 (0.47) KDRALDH1A1HSD17B10LMNAKMT2A
SCHEMBL13429021 0.75 TNKS (0.52) FYN
SCHEMBL13429268 0.74 TLR9 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH (US) 2010-03-18 US disclosed
US-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH (US) 2010-03-18 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-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS MTOR, RICTOR, PIK3CA KDR 442/4885PARP1 1084/4885FYN 634/4885

“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.