SCHEMBL13034401

SCHEMBL13034401

CCN(CCO)c1nc(C)cc(C)n1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 8/20 0.53
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
HTT P42858 3/20 0.43
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
CRHR1 P34998 4/20 0.38
PSMD14 O00487 1/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 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
SCHEMBL13034404 0.90 SLC29A1 (0.50) SLC29A1ALDH1A1LMNATDP1KMT2A
SCHEMBL15107930 0.88 SLC29A1 (0.46) SLC29A1ALDH1A1LMNAHCRTR1HCRTR2
SCHEMBL12986119 0.85 SLC29A1 (0.44) SLC29A1ALDH1A1LMNAHCRTR1HCRTR2
SCHEMBL12871103 0.84 TDP1 (0.44) ALDH1A1LMNAHCRTR1HCRTR2HTT
SCHEMBL12169523 0.83 SLC29A1 (0.64) SLC29A1ALDH1A1LMNAHTTTDP1
SCHEMBL12871102 0.83 TDP1 (0.53) ALDH1A1LMNAHCRTR1HCRTR2HTT
SCHEMBL13034403 0.80 SLC29A1 (0.45) SLC29A1ALDH1A1LMNAHTTTDP1
SCHEMBL11403187 0.78 SLC29A1 (0.43) SLC29A1ALDH1A1LMNATDP1KMT2A
SCHEMBL11766019 0.77 SLC29A1 (0.68) SLC29A1ALDH1A1LMNAHTTTDP1
SCHEMBL12295196 0.76 HCRTR1 (0.42) ALDH1A1LMNAHCRTR1HCRTR2KMT2A

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-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 US disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 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-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 SLC29A1 4043/4885ALDH1A1 1560/4885LMNA 4561/4885

“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.