SCHEMBL1890717

SCHEMBL1890717

Cc1cccc(Nc2nc(-c3ccccn3)cs2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.74
KMT2A Q03164 5/20 0.74
MEN1 O00255 4/20 0.74
SMN1; SMN2 Q16637 3/20 0.74
NFKB1 P19838 3/20 0.74
NFKB2 Q00653 3/20 0.74
RELA Q04206 3/20 0.74
PPP1CA P62136 2/20 0.74
NPSR1 Q6W5P4 2/20 0.74
MBD2 Q9UBB5 2/20 0.74
NR1I2 O75469 1/20 0.74
KCNN1 Q92952 2/20 0.70
KCNN2 Q9H2S1 2/20 0.70
KCNN3 Q9UGI6 2/20 0.70
CSNK2A2 P19784 1/20 0.70
CSNK2B P67870 1/20 0.70
SLC2A1 P11166 3/20 0.69
RAB9A P51151 4/20 0.67
HTT P42858 3/20 0.67
MAPK1 P28482 1/20 0.67

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
SCHEMBL13803792 0.86 MAPT (0.78) MAPTKMT2AMEN1SMN1; SMN2NFKB1
SCHEMBL30745718 0.86 MAPT (0.69) MAPTKMT2AMEN1SMN1; SMN2NFKB1
SCHEMBL27039811 0.86 MAPT (0.69) MAPTKMT2AMEN1SMN1; SMN2NFKB1
SCHEMBL12639826 0.86 SMN1; SMN2 (1.00) MAPTKMT2AMEN1SMN1; SMN2NFKB1
SCHEMBL13390238 0.85 MBD2 (1.00) MAPTKMT2AMEN1SMN1; SMN2NFKB1
SCHEMBL30060152 0.85 MBD2 (1.00) MAPTKMT2AMEN1SMN1; SMN2NFKB1
SCHEMBL5157963 0.83 KCNN1 (1.00) MAPTKMT2AMEN1SMN1; SMN2NFKB1
SCHEMBL29601716 0.83 KCNN1 (1.00) MAPTKMT2AMEN1SMN1; SMN2NFKB1
SCHEMBL7678939 0.82 MAPT (0.81) MAPTKMT2AMEN1SMN1; SMN2NFKB1
SCHEMBL23553573 0.82 NPY5R (0.76) MAPTKMT2AMEN1SMN1; SMN2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT AUCKLAND UNISERVICES LIMITED (NZ) 2011-05-05 US claimed
US-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT AUCKLAND UNISERVICES LIMITED (NZ) 2011-05-05 US disclosed
US-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT AUCKLAND UNISERVICES LIMITED (NZ) 2011-05-05 US disclosed
US-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT AUCKLAND UNISERVICES LIMITED (NZ) 2011-05-05 US disclosed
WO-2009114552-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-09-17 WO 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-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT VHL, TP53, BECN1 MAPT 2506/4885KMT2A 2132/4885MEN1 3092/4885

“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.