SCHEMBL14005484

SCHEMBL14005484

COc1cccc(Nc2cncc(C(C)(C)C)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 2/20 0.51
MAPK1 P28482 2/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
STAT1 P42224 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.48
MTNR1B P49286 2/20 0.46
MTNR1A P48039 1/20 0.46
RAPGEF4 Q8WZA2 1/20 0.46
PTGS1 P23219 2/20 0.44
SYK P43405 1/20 0.44
TSHR P16473 1/20 0.44
EGFR P00533 1/20 0.44
KCNH3 Q9ULD8 1/20 0.44
PTGS2 P35354 1/20 0.44

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
SCHEMBL14005485 0.84 RAB9A (0.53) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL21490327 0.80 MAPT (0.67) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL14005526 0.80 SLC22A12 (0.45) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL1085867 0.78 MEN1 (0.71) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL14005518 0.77 KIF11 (0.58) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL14030248 0.77 MEN1 (0.51) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL14005490 0.77 DHFR (0.48) KMT2AMAPTMAPK1NPC1RAB9A
SCHEMBL14005511 0.76 IKBKB (0.49) SYKPDPK1KDR
SCHEMBL14005506 0.76 BPTF (0.43) PTGS1SYKPTGS2
SCHEMBL13302353 0.76 MEN1 (0.69) MEN1KMT2AMAPTMAPK1NPC1

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 MEN1 2447/4885KMT2A 2789/4885MAPT 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.