SCHEMBL5634282

SCHEMBL5634282

CCOC(OCC)c1cc(O)nc(SCc2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.44
NPC1 O15118 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ADORA3 P0DMS8 4/20 0.44
MAPT P10636 2/20 0.41
TSHR P16473 2/20 0.41
PKM P14618 1/20 0.41
GFER P55789 1/20 0.41
HSP90AA1 P07900 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6640353 0.88 DAO (0.41) RAB9ANPC1SMN1; SMN2ADORA3MAPT
SCHEMBL114060 0.85 RAB9A (0.62) RAB9ANPC1SMN1; SMN2ADORA3MAPT
SCHEMBL114057 0.85 RAB9A (0.44) RAB9ANPC1SMN1; SMN2ADORA3MAPT
SCHEMBL490098 0.79 RAB9A (0.62) RAB9ANPC1SMN1; SMN2MAPTTSHR
SCHEMBL5634559 0.76 ADORA3 (0.38) RAB9ANPC1SMN1; SMN2ADORA3MAPT
SCHEMBL1520968 0.75 SMN1; SMN2 (0.57) RAB9ANPC1SMN1; SMN2MAPTTSHR
SCHEMBL10847008 0.73 SMN1; SMN2 (0.53) RAB9ANPC1SMN1; SMN2ADORA3MAPT
SCHEMBL112782 0.72 HPGD (0.59) RAB9ASMN1; SMN2MAPTTSHRPKM
SCHEMBL1520770 0.72 RAB9A (0.78) RAB9ANPC1SMN1; SMN2MAPTTSHR
SCHEMBL18499086 0.69 RAB9A (0.50) RAB9ANPC1SMN1; SMN2MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157580-B2 Aminopyrimidine and aminopyridine anti-inflammation agents ROCHE PALO ALTO LLC (US) 2007-01-02 US disclosed
US-20050107403-A1 Aminopyrimidine and aminopyridine anti-inflammation agents HAWLEY RONALD C (US) 2005-05-19 US disclosed
US-6846828-B2 Aminopyrimidine and aminopyridine anti-inflammation agents ROCHE PALO ALTO LLC (US) 2005-01-25 US disclosed
EP-1444223-A1 AMINOPYRIMIDINES AND -PYRIDINES F. HOFFMANN-LA ROCHE AG (CH) 2004-08-11 EP disclosed
US-20030144303-A1 Aminopyrimidine and aminopyridine anti-inflammation agents SYNTEX (U.S.A.) LLC 2003-07-31 US disclosed
WO-2003040131-A1 AMINOPYRIMIDINES AND PYRIDINES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-15 WO 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-20050107403-A1 Aminopyrimidine and aminopyridine anti-inflammation agents IL6, DPYD, TYMP RAB9A 4495/4885NPC1 4212/4885SMN1; SMN2 3326/4885
US-20030144303-A1 Aminopyrimidine and aminopyridine anti-inflammation agents IL6, DPYD, TYMP RAB9A 4525/4885NPC1 4028/4885SMN1; SMN2 3161/4885

“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.