SCHEMBL1883755

SCHEMBL1883755

Cc1cc(C)cc(Nc2nc(-c3ccncc3)cs2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.79
RAB9A P51151 7/20 0.79
MEN1 O00255 4/20 0.79
KMT2A Q03164 4/20 0.79
HTT P42858 4/20 0.79
MAPK1 P28482 3/20 0.79
HDAC6 Q9UBN7 1/20 0.79
NPC1 O15118 6/20 0.76
SMN1; SMN2 Q16637 5/20 0.66
ALDH1A1 P00352 4/20 0.65
LMNA P02545 4/20 0.65
GAA P10253 2/20 0.65
NPSR1 Q6W5P4 2/20 0.65
TDP1 Q9NUW8 2/20 0.62
VCP P55072 1/20 0.62
ESR1 P03372 1/20 0.62
POLB P06746 1/20 0.62
CYP1A1 P04798 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP1B1 Q16678 2/20 0.61

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
SCHEMBL996232 0.88 RAB9A (1.00) MAPTRAB9AMEN1KMT2AHTT
SCHEMBL12639921 0.88 MEN1 (0.67) MAPTRAB9AMEN1KMT2AHTT
SCHEMBL1886814 0.86 RAB9A (1.00) MAPTRAB9AMEN1KMT2AHTT
SCHEMBL25073943 0.85 MAPT (0.69) MAPTRAB9AMEN1KMT2AHTT
SCHEMBL12297284 0.85 MEN1 (0.63) MAPTRAB9AMEN1KMT2AHTT
SCHEMBL206240 0.85 MEN1 (0.73) MAPTRAB9AMEN1KMT2AHTT
SCHEMBL1882747 0.82 RAB9A (0.74) MAPTRAB9AMEN1KMT2AHTT
SCHEMBL12297230 0.82 VCP (0.67) MAPTRAB9AMEN1KMT2AHTT
SCHEMBL12297745 0.81 PSEN1 (0.62) MAPTRAB9AMEN1KMT2AHTT
SCHEMBL1891345 0.81 CYP1B1 (0.73) MAPTRAB9AMEN1KMT2AHTT

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 15 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-8017629-B2 Compounds and uses thereof in modulating amyloid β NEUROGENETIC PHARMACEUTICALS, INC. (US) 2011-09-13 US disclosed
US-8017629-B2 Compounds and uses thereof in modulating amyloid β NEUROGENETIC PHARMACEUTICALS, INC. (US) 2011-09-13 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
US-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT AUCKLAND UNISERVICES LIMITED (NZ) 2011-05-05 US disclosed
US-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS, INC. 2010-12-23 US disclosed
US-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS, INC. 2010-12-23 US disclosed
US-7781442-B2 Compounds and uses thereof in modulating amyloid beta NEUROGENETIC PHARMACEUTICALS, INC. (US) 2010-08-24 US disclosed
US-7781442-B2 Compounds and uses thereof in modulating amyloid beta NEUROGENETIC PHARMACEUTICALS, INC. (US) 2010-08-24 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
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta TORREYPINES THERAPEUTICS INC. 2007-11-08 US disclosed
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta TORREYPINES THERAPEUTICS INC. 2007-11-08 US disclosed
US-7244739-B2 Compounds and uses thereof in modulating amyloid beta TORREYPINES THERAPEUTICS, INC. (US) 2007-07-17 US disclosed
US-7244739-B2 Compounds and uses thereof in modulating amyloid beta TORREYPINES THERAPEUTICS, INC. (US) 2007-07-17 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 (3 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-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA APP, BACE1, BACE2 MAPT 10/4885RAB9A 2158/4885MEN1 2959/4885
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta APP, BACE1, BACE2 MAPT 10/4885RAB9A 2158/4885MEN1 2959/4885
US-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT VHL, TP53, BECN1 MAPT 2506/4885RAB9A 508/4885MEN1 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.