SCHEMBL1887374

SCHEMBL1887374

Oc1ccc(Nc2nc(-c3ccccn3)cs2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 8/20 1.00
NR4A1 P22736 1/20 1.00
MAPT P10636 5/20 0.78
MEN1 O00255 4/20 0.78
KMT2A Q03164 4/20 0.78
SMN1; SMN2 Q16637 3/20 0.78
NPSR1 Q6W5P4 3/20 0.78
NR1I2 O75469 1/20 0.78
NFKB1 P19838 1/20 0.78
PPP1CA P62136 1/20 0.78
NFKB2 Q00653 1/20 0.78
RELA Q04206 1/20 0.78
MBD2 Q9UBB5 2/20 0.74
CSNK2A1 P68400 1/20 0.72
NPY5R Q15761 1/20 0.70
AMY1A P0DUB6 2/20 0.68
ALOX5 P09917 1/20 0.68
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
HTT P42858 2/20 0.65

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
SCHEMBL12298002 0.89 VCP (0.81) VCPNR4A1MAPTMEN1KMT2A
SCHEMBL12639826 0.88 SMN1; SMN2 (1.00) VCPNR4A1MAPTMEN1KMT2A
SCHEMBL13803792 0.86 MAPT (0.78) VCPNR4A1MAPTMEN1KMT2A
SCHEMBL30060152 0.85 MBD2 (1.00) VCPNR4A1MAPTMEN1KMT2A
SCHEMBL13390238 0.85 MBD2 (1.00) VCPNR4A1MAPTMEN1KMT2A
SCHEMBL7678939 0.85 MAPT (0.81) VCPNR4A1MAPTMEN1KMT2A
Bromide SCHEMBL7673197 0.83 MAPT (0.79) VCPNR4A1MAPTMEN1KMT2A
SCHEMBL23657798 0.82 MAPT (0.72) VCPNR4A1MAPTMEN1KMT2A
SCHEMBL31126464 0.82 NPY5R (1.00) VCPNR4A1MAPTMEN1KMT2A
SCHEMBL29601468 0.82 SLC2A1 (0.73) VCPNR4A1MAPTMEN1KMT2A

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 8 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
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
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 US disclosed
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 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 (2 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 VCP 137/4885NR4A1 3329/4885MAPT 2506/4885
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS BCL2, BAX, BAD VCP 2182/4885NR4A1 4082/4885MAPT 3866/4885

“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.