SCHEMBL5077115

SCHEMBL5077115

O=C(NCc1ccccc1)c1cncnc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.67
SMN1; SMN2 Q16637 1/20 0.66
ROCK2 O75116 1/20 0.60
RPS6KA5 O75582 1/20 0.60
MAP4K4 O95819 1/20 0.60
PRKCG P05129 1/20 0.60
PRKACA P17612 1/20 0.60
RPS6KB1 P23443 1/20 0.60
MAPK1 P28482 1/20 0.60
AKT1 P31749 1/20 0.60
GSK3A P49840 1/20 0.60
GSK3B P49841 1/20 0.60
PRKX P51817 1/20 0.60
PRKCD Q05655 1/20 0.60
PRKG2 Q13237 1/20 0.60
ROCK1 Q13464 1/20 0.60
DYRK1A Q13627 1/20 0.60
PRKG1 Q13976 1/20 0.60
PKN2 Q16513 1/20 0.60
CDC42BPA Q5VT25 1/20 0.60

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
SCHEMBL28173164 0.86 HDAC6 (0.58) HPGDSSMN1; SMN2ROCK2RPS6KA5MAP4K4
SCHEMBL7705627 0.83 RAB9A (0.73) SMN1; SMN2HDAC6HDAC2HDAC8RAB9A
SCHEMBL354041 0.83 TSHR (0.76) HPGDSSMN1; SMN2ROCK2RPS6KA5MAP4K4
SCHEMBL5083050 0.83 L3MBTL1 (0.69) SMN1; SMN2ROCK2L3MBTL1LMNA
SCHEMBL5083115 0.83 TSHR (0.71) SMN1; SMN2HDAC6HDAC2SCN2ASCN10A
Iodide SCHEMBL15903217 0.82 TSHR (0.74) HPGDSSMN1; SMN2ROCK2RPS6KA5MAP4K4
SCHEMBL5078937 0.82 EPHX2 (0.60) HPGDSSMN1; SMN2ROCK2RPS6KA5MAP4K4
SCHEMBL17101816 0.82 NPC1 (0.53) HPGDSSMN1; SMN2ROCK2PRKACAGSK3A
SCHEMBL11900090 0.81 HDAC6 (0.85) ROCK2RPS6KA5MAP4K4PRKCGPRKACA
SCHEMBL457082 0.81 HDAC6 (0.79) ROCK2RPS6KA5MAP4K4PRKCGPRKACA

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
CN-109715807-A Secretory immunoglobulin A (sIgA) -binding nucleic acid molecule, sensor for sIgA analysis, and sIgA analysis method 日本电气方案创新株式会社 2019-05-03 CN disclosed
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine GLAXO GROUP LIMITED 2008-06-05 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-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine CNR2, CNR1, PDE4A HPGDS 387/4885SMN1; SMN2 3540/4885ROCK2 1040/4885

“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.