SCHEMBL3605831

SCHEMBL3605831

N#Cc1cc(-c2ccnc(C=Cc3ccc(F)cc3)c2)[nH]c1N1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 11/20 0.48
MAPT P10636 4/20 0.40
TP53 P04637 1/20 0.40
AURKA O14965 2/20 0.38
JAK2 O60674 2/20 0.38
LCK P06239 2/20 0.38
MET P08581 2/20 0.38
MAPK1 P28482 2/20 0.38
KDR P35968 2/20 0.38
MAPK8 P45983 2/20 0.38
MAPK9 P45984 2/20 0.38
GSK3B P49841 2/20 0.38
JAK3 P52333 2/20 0.38
MAPKAPK5 Q8IW41 2/20 0.38
CDC7 O00311 2/20 0.38
PIM1 P11309 2/20 0.38
PLK4 O00444 1/20 0.38
CHEK1 O14757 1/20 0.38
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38

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
SCHEMBL3605830 1.00 MAPKAPK2 (0.48) MAPKAPK2MAPTTP53AURKAJAK2
SCHEMBL13408153 0.93 MAPKAPK2 (0.44) MAPKAPK2MAPTTP53AURKAJAK2
SCHEMBL13408082 0.92 MAPKAPK2 (0.46) MAPKAPK2MAPTAURKAJAK2LCK
SCHEMBL3608148 0.91 MAPKAPK2 (0.46) MAPKAPK2MAPTAURKAJAK2LCK
SCHEMBL3608151 0.91 MAPKAPK2 (0.46) MAPKAPK2MAPTAURKAJAK2LCK
SCHEMBL3607125 0.90 MAPKAPK2 (0.46) MAPKAPK2MAPTAURKAJAK2LCK
SCHEMBL3607124 0.90 MAPKAPK2 (0.46) MAPKAPK2MAPTAURKAJAK2LCK
SCHEMBL13408155 0.90 MAPKAPK2 (0.44) MAPKAPK2MAPTAURKAJAK2LCK
SCHEMBL3610985 0.89 MAPKAPK2 (0.42) MAPKAPK2MAPTTP53AURKAJAK2
SCHEMBL3610981 0.89 MAPKAPK2 (0.42) MAPKAPK2MAPTTP53AURKAJAK2

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-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US claimed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 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-20100105664-A1 ORGANIC COMPOUNDS SLCO1B3, SLCO1B1, SLC10A6 MAPKAPK2 4395/4885MAPT 2170/4885TP53 780/4885

“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.