SCHEMBL5460434

SCHEMBL5460434

COc1ccc(Cn2cnc3nc(C(F)(F)F)nc(Cl)c32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.48
GAA P10253 1/20 0.41
NR3C1 P04150 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
CNR2 P34972 2/20 0.39
KDM4E B2RXH2 2/20 0.39
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
CYP11B2 P19099 2/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
CYP11B1 P15538 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL5462813 0.84 MET (0.51) METGAAMEN1KMT2AL3MBTL1
SCHEMBL5467085 0.84 PDE4A (0.53) GAAKMT2APDE4APDE4BPDE4C
SCHEMBL6900306 0.84 MET (0.47) METGAAMEN1KMT2AL3MBTL1
SCHEMBL30020920 0.84 MET (0.47) METGAAMEN1KMT2AL3MBTL1
SCHEMBL12808668 0.81 NPSR1 (0.49) METGAAMEN1KMT2AL3MBTL1
SCHEMBL5456480 0.81 PDE4A (0.54) METNR3C1MEN1KMT2AL3MBTL1
SCHEMBL20187539 0.77 ALDH1A1 (0.52) METGAAMEN1KMT2AL3MBTL1
SCHEMBL29434725 0.77 ALDH1A1 (0.52) METGAAMEN1KMT2AL3MBTL1
SCHEMBL21883518 0.75 MET (0.46) METGAAMEN1KMT2AL3MBTL1
SCHEMBL30021455 0.75 MET (0.46) METGAAMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203159-A1 Purine compounds UNIVERSITETET I OLSO (NO) 2007-08-30 US disclosed
US-20070203159-A1 Purine compounds UNIVERSITETET I OLSO (NO) 2007-08-30 US disclosed
US-20070203159-A1 Purine compounds UNIVERSITETET I OLSO (NO) 2007-08-30 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-20070203159-A1 Purine compounds PNP, UMPS, TYMP MET 3953/4885GAA 930/4885NR3C1 4295/4885

“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.