SCHEMBL2755237

SCHEMBL2755237

FC(F)(F)c1ccc(-c2nnc(C3CCNCC3)[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.54
PLAT P00750 4/20 0.44
PRMT5 O14744 1/20 0.43
MAPK13 O15264 2/20 0.40
MAPK9 P45984 2/20 0.40
MAPK12 P53778 2/20 0.40
MAPK11 Q15759 2/20 0.40
MAPK14 Q16539 2/20 0.40
RAF1 P04049 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
P2RY14 Q15391 7/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
OPRD1 P41143 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
NISCH Q9Y2I1 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
Hydrochloric Acid SCHEMBL237629 0.99 HTR2C (0.55) HTR2CPLATPRMT5MAPK13MAPK9
SCHEMBL2755235 0.84 MEN1 (0.56) HTR2CPLATMAPK13MAPK9MAPK12
SCHEMBL17073562 0.84 MAPK11 (0.51) PLATMAPK13MAPK9MAPK12MAPK11
Hydrochloric Acid SCHEMBL238482 0.83 HTR2C (0.56) HTR2CPLATMAPK13MAPK9MAPK12
SCHEMBL2755242 0.82 MAPK11 (0.49) PLATMAPK13MAPK9MAPK12MAPK11
SCHEMBL2755245 0.81 PLAT (0.42) HTR2CPLATPRMT5MAPK13MAPK9
SCHEMBL3941345 0.80 HPGDS (0.50) HTR2CPLATPOLBSIGMAR1
Hydrochloric Acid SCHEMBL236033 0.80 PLAT (0.41) HTR2CPLATPRMT5MAPK13MAPK9
Hydrochloric Acid SCHEMBL31583814 0.79 HTR3A (0.42) HTR2CPLATMAPK13MAPK9MAPK12
Trifluoroacetic Acid SCHEMBL17065161 0.79 MAPK11 (0.43) PLATMAPK13MAPK9MAPK12MAPK11

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-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 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-20120004240-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3R5 HTR2C 4004/4885PLAT 1906/4885PRMT5 796/4885

“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.