SCHEMBL837898

SCHEMBL837898

CNC(=O)c1cccc(-c2cnn3ccnc3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 3/20 0.55
FGFR1 P11362 3/20 0.54
FGFR3 P22607 2/20 0.54
ADRA2A P08913 1/20 0.49
ADRA1A P35348 1/20 0.49
NTRK1 P04629 2/20 0.47
MAP4K4 O95819 2/20 0.47
AURKA O14965 1/20 0.47
DAPK3 O43293 1/20 0.47
JAK2 O60674 1/20 0.47
ABL1 P00519 1/20 0.47
CSF1R P07333 1/20 0.47
RET P07949 1/20 0.47
PRKACA P17612 1/20 0.47
KDR P35968 1/20 0.47
MAP2K2 P36507 1/20 0.47
MAPK8 P45983 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
RPS6KA3 P51812 1/20 0.47

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
SCHEMBL9949560 0.85 CDK8 (0.55) CDK8FGFR1NTRK1MAP4K4AURKA
SCHEMBL3025051 0.81 CDK8 (0.49) CDK8FGFR1FGFR3ADRA2AADRA1A
SCHEMBL12448288 0.78 FGFR1 (0.66) CDK8FGFR1FGFR3ADRA2AADRA1A
SCHEMBL837839 0.77 FGFR1 (0.65) CDK8FGFR1FGFR3ADRA2AADRA1A
SCHEMBL3653363 0.75 HDAC6 (0.45) CDK8FGFR1FGFR3ADRA2AADRA1A
SCHEMBL13702375 0.75 HDAC8 (0.68) CDK8MAP4K4FYNPIK3CGHDAC8
SCHEMBL835392 0.74 FGFR1 (0.48) CDK8FGFR1FGFR3NTRK1JAK2
SCHEMBL835840 0.74 FGFR3 (0.73) CDK8FGFR1FGFR3NTRK1FYN
SCHEMBL3662014 0.74 FGFR3 (0.43) CDK8FGFR1FGFR3ADRA2AADRA1A
SCHEMBL9950069 0.73 ALDH1A1 (0.45) CDK8FGFR1NTRK1MAP4K4AURKA

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 10 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
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 CDK8 1828/4885FGFR1 20/4885FGFR3 81/4885

“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.