SCHEMBL13442016

SCHEMBL13442016

C#Cc1cc(-c2ccnc(-c3cnc(N4CCCOCC4)nc3)c2)[nH]c1N1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYLK4 Q86YV6 2/20 0.36
STK17A Q9UEE5 2/20 0.36
PIK3CA P42336 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CB P42338 1/20 0.35
MAPT P10636 2/20 0.35
MAPKAPK2 P49137 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
PRKD1 Q15139 1/20 0.34
PRKD2 Q9BZL6 1/20 0.34
PIM1 P11309 3/20 0.33
CDC7 O00311 2/20 0.33
CDK9 P50750 2/20 0.33
CNR2 P34972 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
MAPK10 P53779 1/20 0.32
TGFBR1 P36897 2/20 0.32
FEN1 P39748 2/20 0.31

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
SCHEMBL13408194 0.91 TBK1 (0.41) MYLK4STK17APIK3CAPIK3CDPIK3R1
SCHEMBL13442301 0.91 MAPT (0.38) MYLK4STK17AMAPTMAPKAPK2TBK1
SCHEMBL13442018 0.91 MAPT (0.38) MYLK4STK17AMAPTMAPKAPK2TBK1
SCHEMBL13441991 0.88 MAPKAPK2 (0.34) PIK3CAPIK3CDPIK3R1PIK3CBMAPT
SCHEMBL13408186 0.87 CDC7 (0.43) MYLK4STK17APIK3CAPIK3CDPIK3R1
SCHEMBL14283774 0.86 PIK3CA (0.41) MYLK4STK17APIK3CAPIK3CDPIK3R1
Trifluoroacetic Acid SCHEMBL3613213 0.84 TBK1 (0.36) MAPTTBK1PIM1CDC7CDK9
SCHEMBL13442621 0.82 LRRK2 (0.33) PIK3CAPIK3CDPIK3CBMAPTMAPKAPK2
SCHEMBL13408196 0.82 PIM1 (0.43) MYLK4STK17AMAPTMAPKAPK2TBK1
SCHEMBL13408197 0.82 PIM1 (0.42) MYLK4STK17AMAPTMAPKAPK2PRKD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MYLK4 4592/4885STK17A 3404/4885PIK3CA 1285/4885

“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.