SCHEMBL14005485

SCHEMBL14005485

COc1ccc(Nc2cncc(C(C)(C)C)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
GAA P10253 3/20 0.53
MAPT P10636 3/20 0.53
NPC1 O15118 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 1/20 0.53
THRB P10828 1/20 0.53
MAPK1 P28482 1/20 0.53
RECQL P46063 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
XDH P47989 2/20 0.47
SLC22A12 Q96S37 2/20 0.47
NR4A1 P22736 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45

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
SCHEMBL14005484 0.84 MEN1 (0.51) RAB9AMAPTNPC1MAPK1MEN1
SCHEMBL14005526 0.80 SLC22A12 (0.45) RAB9AMAPTNPC1L3MBTL1MAPK1
SCHEMBL14005522 0.80 XDH (0.42) MAPTKDM4EMAPK1XDHSLC22A12
SCHEMBL5608912 0.79 MAPT (0.71) RAB9AGAAMAPTNPC1L3MBTL1
SCHEMBL15603530 0.78 RAB9A (0.57) RAB9AGAAMAPTNPC1L3MBTL1
SCHEMBL2821463 0.78 RAB9A (0.57) RAB9AGAAMAPTNPC1L3MBTL1
SCHEMBL14005509 0.77 XDH (0.43) XDHSLC22A12PDPK1
SCHEMBL14005508 0.77 PLG (0.42) XDHSLC22A12KCNH2SCN5ASCN9A
SCHEMBL4191925 0.76 XDH (0.61) RAB9AGAAMAPTNPC1L3MBTL1
SCHEMBL14005542 0.76 XDH (0.44) RAB9AMAPTNPC1L3MBTL1KDM4E

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 RAB9A 1685/4885GAA 688/4885MAPT 4382/4885

“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.