SCHEMBL4720161

SCHEMBL4720161

Nc1nccc2cn[nH]c(=O)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 2/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
PARP1 P09874 1/20 0.42
PRKCI P41743 1/20 0.42
PDE4B Q07343 1/20 0.42
F12 P00748 1/20 0.36
PLAU P00749 1/20 0.36
NCF1 P14598 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
BACE1 P56817 1/20 0.36
XDH P47989 2/20 0.35
RET P07949 1/20 0.35
PI4KA P42356 1/20 0.35
LRRK2 Q5S007 1/20 0.35

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
SCHEMBL19152813 0.79 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10HPGDMAPK1
SCHEMBL31427032 0.75 ALDH1A1 (0.55) ALDH1A1KDM4EHSD17B10HPGDMAPK1
SCHEMBL18237996 0.75 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10HPGDMAPK1
SCHEMBL19153804 0.75 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10HPGDMAPK1
Hydrochloric Acid SCHEMBL31427020 0.73 ALDH1A1 (0.54) ALDH1A1KDM4EHSD17B10HPGDMAPK1
SCHEMBL402053 0.73 MAPT (0.48) ALDH1A1KDM4EHSD17B10HPGDTDP1
SCHEMBL2478471 0.73 JAK2 (0.53) ALDH1A1KDM4EHSD17B10HPGDMAPK1
SCHEMBL15481179 0.70 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10HPGDMAPK1
SCHEMBL15066960 0.67 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10HPGDMAPK1
SCHEMBL1009329 0.66 HSD17B10 (0.52) ALDH1A1KDM4EHSD17B10HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664023-B1 SUSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2008-08-13 EP disclosed
US-7390820-B2 Substituted quinolinone derivatives and methods of use AMGEN INC. (US) 2008-06-24 US disclosed
US-20050049253-A1 Substituted quinolinone derivatives and methods of use AMGEN INC. 2005-03-03 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-20050049253-A1 Substituted quinolinone derivatives and methods of use NQO1, NQO2, UGT1A1 ALDH1A1 215/4885KDM4E 2541/4885HSD17B10 771/4885

“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.