SCHEMBL4097132

SCHEMBL4097132

O=C(/C(=N/O)c1ccnc(F)c1)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
ALDH1A1 P00352 2/20 0.41
APP P05067 1/20 0.41
HCAR3 P49019 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
SARM1 Q6SZW1 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
SIRT4 Q9Y6E7 1/20 0.41
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL4099411 1.00 GAA (0.41) GAAALDH1A1APPHCAR3HCAR2
SCHEMBL4097134 1.00 GAA (0.41) GAAALDH1A1APPHCAR3HCAR2
SCHEMBL828659 0.80 CES2 (0.44) KMT2APOLBRAB9AL3MBTL1
SCHEMBL830162 0.80 CES2 (0.44) KMT2APOLBRAB9AL3MBTL1
SCHEMBL828398 0.80 CES2 (0.44) KMT2APOLBRAB9AL3MBTL1
SCHEMBL10921132 0.79 GAA (0.56) GAAALDH1A1APPHCAR3HCAR2
SCHEMBL11815802 0.79 GAA (0.56) GAAALDH1A1APPHCAR3HCAR2
SCHEMBL4027246 0.78 CES2 (0.54) KMT2APOLB
SCHEMBL4027250 0.78 CES2 (0.54) KMT2APOLB
SCHEMBL3615752 0.78 BRAF (0.44) ALDH1A1KMT2ARAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases INCYTE CORPORATION 2006-05-18 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 (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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 GAA 3102/4885ALDH1A1 3857/4885APP 4711/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 GAA 3102/4885ALDH1A1 3857/4885APP 4711/4885

“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.