SCHEMBL1885352

SCHEMBL1885352

CCc1cc(-c2csc(Nc3cccc(C)c3)n2)ccn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.67
KMT2A Q03164 10/20 0.67
RAB9A P51151 9/20 0.67
MAPT P10636 6/20 0.67
HTT P42858 3/20 0.67
MAPK1 P28482 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
NPC1 O15118 9/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
ALDH1A1 P00352 3/20 0.57
SREBF1 P36956 1/20 0.53
SREBF2 Q12772 1/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
GAA P10253 3/20 0.51
CASP3 P42574 2/20 0.51
SENP8 Q96LD8 2/20 0.51
SENP7 Q9BQF6 2/20 0.51
SENP6 Q9GZR1 2/20 0.51

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
SCHEMBL12672196 0.89 MEN1 (0.66) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL1884673 0.85 MEN1 (0.61) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL1885387 0.85 MEN1 (0.74) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL18769586 0.83 MEN1 (0.79) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL1885444 0.83 MEN1 (0.70) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL1882368 0.83 MEN1 (0.70) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL1886124 0.83 MEN1 (0.70) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL1883221 0.83 MEN1 (0.70) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL1886491 0.82 MEN1 (0.69) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL22560266 0.82 RAB9A (0.73) MEN1KMT2ARAB9AMAPTHTT

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 7 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
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 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

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 MEN1 3092/4885KMT2A 2132/4885RAB9A 508/4885

“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.