SCHEMBL836613

SCHEMBL836613

Oc1cc(-c2cnn3ccnc3c2)ccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.37
PIK3C3 Q8NEB9 1/20 0.34
KDR P35968 3/20 0.33
JAK2 O60674 2/20 0.33
RET P07949 2/20 0.33
GSK3A P49840 2/20 0.33
RPS6KA3 P51812 2/20 0.33
LIMK1 P53667 2/20 0.33
MAP2K1 Q02750 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
ALK Q9UM73 2/20 0.33
DYRK1B Q9Y463 2/20 0.33
MAPK14 Q16539 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
MAP4K4 O95819 1/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33
CSF1R P07333 1/20 0.33
FGFR1 P11362 1/20 0.33

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
SCHEMBL837859 0.80 DYRK1A (0.49) DYRK1AKDRPIK3CDEGFRPDGFRB
SCHEMBL2340383 0.76 KDR (0.53) KDRMAPK14
SCHEMBL1691461 0.74 TGFBR1 (0.43) DYRK1AKDRJAK2RETGSK3A
SCHEMBL30373969 0.74 FLT3 (0.43) DYRK1AJAK2ALKCDK8LRRK2
SCHEMBL22747528 0.72 APOBEC3A (0.33) DYRK1AKDRJAK2RETGSK3A
SCHEMBL837258 0.72 DYRK1A (0.31) DYRK1AKDRJAK2RETGSK3A
SCHEMBL9949560 0.69 CDK8 (0.55) KDRJAK2RETGSK3ARPS6KA3
SCHEMBL837898 0.69 CDK8 (0.55) KDRJAK2RETGSK3ARPS6KA3
SCHEMBL9950069 0.69 ALDH1A1 (0.45) KDRJAK2RETGSK3ARPS6KA3
SCHEMBL19338529 0.66 QDPR (0.56) DYRK1ACLK4DYRK1BMAP4K4CDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143253-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-8143253-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-8143253-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
EP-2183027-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-08-31 EP disclosed
US-20100204235-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-08-12 US disclosed
US-20100204235-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-08-12 US disclosed
US-20100204235-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-08-12 US disclosed
EP-2183027-A1 ORGANIC COMPOUNDS Novartis Ag (CH) 2010-05-12 EP disclosed
WO-2009013335-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-01-29 WO 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-20100204235-A1 ORGANIC COMPOUNDS ALK, OR10J3, FFAR4 DYRK1A 3776/4885PIK3C3 2633/4885KDR 60/4885

“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.