SCHEMBL13034403

SCHEMBL13034403

CCc1cc(C)nc(N(CCO)CCO)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 16/20 0.45
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
PDE2A O00408 1/20 0.34
RGS12 O14924 1/20 0.34
SLC22A2 O15244 1/20 0.34
SLC22A1 O15245 1/20 0.34
ABCC4 O15439 1/20 0.34
ABCC5 O15440 1/20 0.34
PDE6D O43924 1/20 0.34
PDE8A O60658 1/20 0.34
GMNN O75496 1/20 0.34
USP2 O75604 1/20 0.34
PDE5A O76074 1/20 0.34
ABCB11 O95342 1/20 0.34
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL15107930 0.93 SLC29A1 (0.46) SLC29A1ALDH1A1LMNANOS3NOS2
SCHEMBL13034404 0.85 SLC29A1 (0.50) SLC29A1ALDH1A1LMNAKDM4EMEN1
SCHEMBL15107931 0.85 HCRTR1 (0.38) ALDH1A1LMNA
SCHEMBL13032581 0.83 TDP1 (0.39) SLC29A1ALDH1A1LMNANOS3NOS2
SCHEMBL13034401 0.80 SLC29A1 (0.53) SLC29A1ALDH1A1LMNAMEN1GAA
SCHEMBL12986678 0.79 SLC29A1 (0.43) SLC29A1ALDH1A1LMNAKDM4EMEN1
SCHEMBL11403187 0.77 SLC29A1 (0.43) SLC29A1ALDH1A1LMNANOS3NOS2
SCHEMBL11960319 0.75 SLC29A1 (0.44) SLC29A1ALDH1A1LMNAKDM4EMEN1
SCHEMBL15107223 0.73 SLC29A1 (0.43) SLC29A1PRUNE1HTT
SCHEMBL12986119 0.71 SLC29A1 (0.44) SLC29A1ALDH1A1LMNAHPGDCASP1

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.