SCHEMBL1788481

SCHEMBL1788481

Cn1ccc(CN2C(=O)/C(=C\c3ccc[nH]3)c3c(Cl)nc(N)nc32)n1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDPK1 O15530 2/20 0.33
KDR P35968 1/20 0.33
KAT8 Q9H7Z6 7/20 0.32
ALDH1A1 P00352 1/20 0.32
CCR9 P51686 1/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
RET P07949 1/20 0.30
FLT3 P36888 1/20 0.30
ALK Q9UM73 1/20 0.30
ACHE P22303 1/20 0.30
PDGFRB P09619 1/20 0.30

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
SCHEMBL1788483 1.00 MAPT (0.34) MAPTMAPK1SMN1; SMN2L3MBTL1PDPK1
SCHEMBL1788485 1.00 MAPT (0.34) MAPTMAPK1SMN1; SMN2L3MBTL1PDPK1
SCHEMBL12613388 0.86 MAPT (0.35) MAPTMAPK1SMN1; SMN2L3MBTL1PDPK1
SCHEMBL1786841 0.83 MAPT (0.35) MAPTMAPK1SMN1; SMN2L3MBTL1PDPK1
SCHEMBL1786843 0.83 MAPT (0.35) MAPTMAPK1SMN1; SMN2L3MBTL1PDPK1
SCHEMBL1786838 0.83 MAPT (0.35) MAPTMAPK1SMN1; SMN2L3MBTL1PDPK1
SCHEMBL1081047 0.83 EP300 (0.35) KAT8
SCHEMBL1081043 0.83 EP300 (0.35) KAT8
SCHEMBL1081046 0.83 EP300 (0.35) KAT8
SCHEMBL1787197 0.80 MAPT (0.33) MAPTMAPK1SMN1; SMN2L3MBTL1PDPK1

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-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. 2011-05-26 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-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PARK7, BDNF, BACE1 MAPT 26/4885MAPK1 1938/4885SMN1; SMN2 11/4885

“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.