SCHEMBL13063630

SCHEMBL13063630

N#Cc1ccc(N2CCOCC2)cc1N=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HTT P42858 2/20 0.58
KDM4E B2RXH2 2/20 0.58
NSD2 O96028 1/20 0.58
LMNA P02545 1/20 0.58
TSHR P16473 1/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
CASP6 P55212 1/20 0.58
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KMO O15229 1/20 0.42
LGMN Q99538 1/20 0.42
PRKDC P78527 3/20 0.41
PIK3CD O00329 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
SCHEMBL13063626 0.78 LGMN (0.54) MAPTSMN1; SMN2HTTKDM4ELMNA
SCHEMBL3750968 0.77 MAPT (0.63) MAPTSMN1; SMN2HTTKDM4ENSD2
SCHEMBL3320628 0.77 MAPT (0.63) MAPTSMN1; SMN2HTTKDM4ENSD2
SCHEMBL10207485 0.77 PRKDC (0.55) MAPTSMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL81970 0.77 MAPT (0.63) MAPTSMN1; SMN2HTTKDM4ENSD2
SCHEMBL1237566 0.77 KDM4E (0.63) MAPTSMN1; SMN2HTTKDM4ENSD2
SCHEMBL6687266 0.74 MAPT (0.64) MAPTSMN1; SMN2HTTKDM4ENSD2
SCHEMBL82777 0.74 MAPT (0.60) MAPTSMN1; SMN2HTTKDM4ENSD2
SCHEMBL3752824 0.74 MAPT (0.63) MAPTSMN1; SMN2HTTKDM4ENSD2
SCHEMBL12856276 0.74 PRKDC (0.59) MAPTSMN1; SMN2HTTKDM4EALDH1A1

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-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 US disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 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-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 MAPT 3291/4885SMN1; SMN2 948/4885HTT 1225/4885

“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.