SCHEMBL6480247

SCHEMBL6480247

CNc1nc(C)ccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.54
GCK P35557 4/20 0.49
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
STAT3 P40763 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NUDT1 P36639 1/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
BRD4 O60885 1/20 0.43

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
SCHEMBL16491623 0.80 HTT (0.59) GRM5MAPTL3MBTL1MAPK1TDP1
SCHEMBL2337555 0.78 GCK (0.76) GRM5GCKKMT2ARAB9A
SCHEMBL3943486 0.78 L3MBTL1 (0.51) GRM5MAPTL3MBTL1MAPK1TDP1
SCHEMBL14647654 0.78 GRM5 (0.60) GRM5GCKMAPTL3MBTL1MAPK1
SCHEMBL16415760 0.78 MEN1 (0.52) GRM5MAPTL3MBTL1MAPK1TDP1
SCHEMBL11067263 0.78 LTA4H (0.58) GRM5MAPTL3MBTL1MAPK1TDP1
SCHEMBL21769171 0.76 NUDT1 (0.51) NUDT1
SCHEMBL4502335 0.75 MAPT (0.49) GRM5MAPTL3MBTL1MAPK1TDP1
SCHEMBL12226851 0.75 L3MBTL1 (0.49) GRM5MAPTL3MBTL1MAPK1TDP1
SCHEMBL3869852 0.75 L3MBTL1 (0.49) GRM5MAPTL3MBTL1MAPK1TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171049-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2005-08-04 US disclosed
US-20030055021-A1 Compounds for the treatment of ischemia PFIZER, INC. 2003-03-20 US disclosed
EP-1241176-A1 Purine derivatives for the treatment of ischemia Pfizer Products Inc. (US) 2002-09-18 EP 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 (2 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-20050171049-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, TBXA2R GRM5 1261/4885GCK 1106/4885MAPT 4820/4885
US-20030055021-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 GRM5 785/4885GCK 1095/4885MAPT 4649/4885

“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.