SCHEMBL5533682

SCHEMBL5533682

Nc1nc2nc(-c3ccccc3)nc-2c(N)n1OCCN1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ADORA2A P29274 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TLR9 Q9NR96 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
LTA4H P09960 1/20 0.40
TNK2 Q07912 1/20 0.40
SYK P43405 1/20 0.40
BCHE P06276 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL5529049 0.90 LTA4H (0.44) ADORA2AADORA1LTA4H
SCHEMBL5533681 0.76 KMT2A (0.41) ADORA2AMEN1KMT2ATSHRMAPK1
SCHEMBL5529045 0.68 ADORA3 (0.34) ADORA2AADORA3ADORA1MEN1KMT2A
SCHEMBL5528127 0.67 ADORA2A (0.45) ADORA2AADORA3ADORA2BADORA1MEN1
SCHEMBL1326596 0.67 ALDH1A1 (0.69) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL14233404 0.66 TLR9 (0.71) MEN1KMT2ATLR9TP53ALOX15
Hydrochloric Acid SCHEMBL9013588 0.65 NPC1 (0.55) NPC1RAB9A
SCHEMBL11898739 0.65 NPC1 (0.97) NPC1RAB9ALTA4H
SCHEMBL6452945 0.64 NPC1 (0.79) NPC1RAB9ATP53TSHRMAPK1
SCHEMBL4907342 0.64 ADORA2A (0.56) NPC1RAB9AADORA2AADORA3ADORA2B

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-20070142402-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2007-06-21 US claimed

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-20070142402-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN NPC1 4530/4885RAB9A 1164/4885ADORA2A 3008/4885

“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.