SCHEMBL14005481

SCHEMBL14005481

CC(C)(C)c1cncc(Oc2cc(N)ccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
RAB9A P51151 3/20 0.46
POLB P06746 2/20 0.46
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
LOXL2 Q9Y4K0 2/20 0.34
GALR3 O60755 1/20 0.34
LOX P28300 1/20 0.33
XDH P47989 1/20 0.33
MEN1 O00255 1/20 0.33
BRCA1 P38398 1/20 0.33
HBB P68871 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FGFR2 P21802 1/20 0.32

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
SCHEMBL14005479 0.82 KDM4E (0.68) KDM4ERAB9APOLBGAAHTT
SCHEMBL15055322 0.81 RAB9A (0.62) KDM4ERAB9APOLBHTTMAPK1
SCHEMBL14005414 0.79 NOS3 (0.47) KDM4ERAB9APOLBMAPK1ALDH1A1
SCHEMBL14005483 0.78 RAB9A (0.43) KDM4ERAB9APOLBGAAMAPK1
SCHEMBL14030070 0.77 LOXL2 (0.40) KDM4ERAB9AGAAHTTNPC1
SCHEMBL14005475 0.75 RAB9A (0.38) KDM4ERAB9APOLBGAAHTT
SCHEMBL7085737 0.75 LMNA (0.53) KDM4EHTTALDH1A1LOXL2LOX
SCHEMBL14005477 0.75 MPO (0.44) KDM4ERAB9APOLBMAPK1ALDH1A1
SCHEMBL14005605 0.74 RAB9A (0.39) KDM4ERAB9APOLBHTTMAPK1
SCHEMBL14005471 0.74 P2RY1 (0.36) KDM4ERAB9APOLBHTTMEN1

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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof WYETH (US) 2008-11-27 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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof PDPK1, PDK2, PDK3 KDM4E 1909/4885RAB9A 1685/4885POLB 1191/4885

“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.