SCHEMBL1608142

SCHEMBL1608142

c1cnc2ccn3nncc3c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
HTT P42858 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
RPS6KA5 O75582 5/20 0.40
CYP3A4 P08684 1/20 0.38
PDE10A Q9Y233 6/20 0.38
BMP4 P12644 1/20 0.37
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
RPS6KA4 O75676 1/20 0.34
CYP19A1 P11511 1/20 0.34
TBXAS1 P24557 1/20 0.34

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
SCHEMBL29967853 0.75 KDM4E (0.51) MAPTKDM4EHTTCYP3A4
SCHEMBL1870141 0.69 MAPT (0.50) MAPTKDM4ELMNAMEN1HSP90AA1
SCHEMBL2733510 0.69 IDO1 (0.57) MAPTKDM4ELMNAMEN1HSP90AA1
SCHEMBL217044 0.65 MAPT (1.00) MAPTKDM4ELMNAMEN1HSP90AA1
SCHEMBL4542842 0.64 MAPT (0.44) MAPTKDM4ELMNAMEN1HSP90AA1
SCHEMBL21306393 0.63 PDE10A (0.51) MAPTKDM4ELMNAMEN1HSP90AA1
Hydrochloric Acid SCHEMBL28420480 0.63 MAPT (0.94) MAPTKDM4ELMNAMEN1HSP90AA1
SCHEMBL30119859 0.62 MAPT (0.50) MAPTKDM4ELMNAMEN1HSP90AA1
SCHEMBL1370432 0.62 MAPT (0.50) MAPTKDM4ELMNAMEN1HSP90AA1
SCHEMBL2926836 0.61 MAPT (0.89) MAPTKDM4ELMNAMEN1HSP90AA1

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-8536193-B2 Inhibitors of AKT activity MERCK SHARP & DOHME CORP. (US) 2013-09-17 US disclosed
US-20110082135-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2011-04-07 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-20110082135-A1 INHIBITORS OF AKT ACTIVITY PIK3CA, AKT1S1, AKT1 MAPT 4667/4885KDM4E 1249/4885LMNA 3011/4885

“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.