SCHEMBL823112

SCHEMBL823112

N=C(N)NC/C=C/c1nc(-c2c[nH]c3ccccc23)cnc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.45
CDK5 Q00535 2/20 0.45
CDK5R1 Q15078 2/20 0.45
GSK3B P49841 1/20 0.45
DYRK1A Q13627 1/20 0.45
MAP3K14 Q99558 1/20 0.45
EIF2AK2 P19525 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
THRB P10828 2/20 0.40
ALOX15 P16050 1/20 0.40
PPARG P37231 1/20 0.40
RAB9A P51151 1/20 0.40
NCOA2 Q15596 1/20 0.40
HSD17B10 Q99714 1/20 0.40
IKBKE Q14164 1/20 0.39

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
SCHEMBL20081607 0.90 CDK5 (0.42) CLK1CDK5CDK5R1GSK3BDYRK1A
SCHEMBL20081605 0.86 CLK1 (0.39) CLK1CDK5CDK5R1GSK3BDYRK1A
SCHEMBL822535 0.82 CLK1 (0.49) CLK1CDK5CDK5R1GSK3BDYRK1A
SCHEMBL823122 0.78 CLK1 (0.45) CLK1CDK5CDK5R1GSK3BDYRK1A
SCHEMBL9485871 0.68 HTR3A (0.65) CLK1CDK5CDK5R1GSK3BDYRK1A
SCHEMBL3618586 0.67 CLK1 (0.52) CLK1CDK5CDK5R1GSK3BDYRK1A
SCHEMBL14406351 0.67 SSTR2 (0.57) CLK1CDK5CDK5R1GSK3BDYRK1A
SCHEMBL20017671 0.66 CLK1 (0.58) CLK1CDK5CDK5R1GSK3BDYRK1A
SCHEMBL27361882 0.65 CLK1 (0.59) CLK1CDK5CDK5R1GSK3BDYRK1A
SCHEMBL25034155 0.64 PDGFRB (0.57) CLK1CDK5CDK5R1GSK3BDYRK1A

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-8343729-B2 Luciferin luminescent substrate of marine ostracod crustacean and method for production thereof NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2013-01-01 US disclosed
US-20110287459-A1 Luciferin luminescent substrate of marine ostracod crustacean and method for production thereof NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2011-11-24 US disclosed
US-7989621-B2 Method for producing substituted imidazo[1,2-A]pyrazines of (s)-1-(3-(2-sec-butyl-6-(1h-indol-3-yl)-3-oxo-3,7-dihydroimadazo[1,2-a]pyrazin-8-yl)propyl)guanidine NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2011-08-02 US disclosed
US-7989621-B2 Method for producing substituted imidazo[1,2-A]pyrazines of (s)-1-(3-(2-sec-butyl-6-(1h-indol-3-yl)-3-oxo-3,7-dihydroimadazo[1,2-a]pyrazin-8-yl)propyl)guanidine NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2011-08-02 US disclosed
US-20090136974-A1 Luciferin Luminescent Substrate of Marine Ostracod Crustacean and Method for Production Thereof NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE TECHNOLOGY (JP) 2009-05-28 US disclosed
US-20090136974-A1 Luciferin Luminescent Substrate of Marine Ostracod Crustacean and Method for Production Thereof NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE TECHNOLOGY (JP) 2009-05-28 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-20090136974-A1 Luciferin Luminescent Substrate of Marine Ostracod Crustacean and Method for Production Thereof GLB1, DCXR, GALR1 CLK1 1939/4885CDK5 4285/4885CDK5R1 3478/4885
US-20110287459-A1 Luciferin luminescent substrate of marine ostracod crustacean and method for production thereof GLB1, DCXR, GALR1 CLK1 1939/4885CDK5 4285/4885CDK5R1 3478/4885

“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.