SCHEMBL13638546

SCHEMBL13638546

C=C1CC(Nc2nccc(-c3c[nH]c4c(O)cccc34)n2)CC(C)(C)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 10/20 0.46
MAPK8 P45983 3/20 0.46
MAPK9 P45984 3/20 0.46
MAPK10 P53779 1/20 0.46
CDK1 P06493 6/20 0.45
CCNB1 P14635 5/20 0.45
GSK3B P49841 5/20 0.45
FLT3 P36888 4/20 0.45
MKNK2 Q9HBH9 4/20 0.45
CCNB2 O95067 4/20 0.45
CCNB3 Q8WWL7 4/20 0.45
CDC7 O00311 3/20 0.45
JAK2 O60674 3/20 0.45
MAP4K4 O95819 3/20 0.45
PIM1 P11309 3/20 0.45
PRKACA P17612 3/20 0.45
JAK3 P52333 3/20 0.45
PIM3 Q86V86 3/20 0.45
HIPK2 Q9H2X6 3/20 0.45
IRAK4 Q9NWZ3 3/20 0.45

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
SCHEMBL13638549 0.91 RET (0.46) RETMAPK8MAPK9MAPK10CDK1
SCHEMBL13638597 0.90 RET (0.45) RETMAPK8MAPK9MAPK10CDK1
SCHEMBL13638328 0.90 RET (0.45) RETMAPK8MAPK9MAPK10CDK1
SCHEMBL13638444 0.90 DYRK1A (0.48) RETMAPK8MAPK9MAPK10CDK1
SCHEMBL13638548 0.90 GSK3B (0.48) RETMAPK8MAPK9MAPK10CDK1
SCHEMBL13638443 0.89 GSK3B (0.52) RETMAPK8MAPK9MAPK10CDK1
SCHEMBL13638596 0.88 GSK3B (0.51) RETMAPK8MAPK9MAPK10CDK1
SCHEMBL13638330 0.87 RET (0.42) RETMAPK8MAPK9MAPK10CDK1
SCHEMBL4485127 0.87 RET (0.51) RETMAPK8MAPK9MAPK10CDK1
SCHEMBL13638446 0.86 GSK3B (0.52) RETMAPK8MAPK9MAPK10CDK1

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-7615562-B2 Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents NOVARTIS AG (CH) 2009-11-10 US disclosed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 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-20070043048-A1 2-Aminopyrimidine derivatives and their medical use TPMT, IKBKB, CHUK RET 3044/4885MAPK8 197/4885MAPK9 148/4885

“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.