SCHEMBL1890978

SCHEMBL1890978

COc1cccc(Nc2nc(-c3ccncc3)cs2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.78
KMT2A Q03164 11/20 0.78
RAB9A P51151 7/20 0.78
NPC1 O15118 5/20 0.78
MAPT P10636 11/20 0.78
CYP1A2 P05177 5/20 0.78
PTGS2 P35354 2/20 0.78
CLK1 P49759 2/20 0.78
CYP3A4 P08684 1/20 0.78
CYP2D6 P10635 1/20 0.78
CYP2C9 P11712 1/20 0.78
PKM P14618 1/20 0.78
CYP2C19 P33261 1/20 0.78
GSK3A P49840 1/20 0.78
GSK3B P49841 1/20 0.78
CDK5 Q00535 1/20 0.78
CDK5R1 Q15078 1/20 0.78
MAPK1 P28482 3/20 0.72
HTT P42858 2/20 0.72
HDAC6 Q9UBN7 1/20 0.72

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
SCHEMBL12297791 0.91 MEN1 (0.84) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL12297320 0.89 MEN1 (0.80) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL12297176 0.89 MEN1 (0.80) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL1891345 0.88 CYP1B1 (0.73) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL12297256 0.88 PTGS2 (1.00) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL208919 0.86 SMN1; SMN2 (0.71) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL4238645 0.84 MEN1 (0.64) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL996232 0.84 RAB9A (1.00) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL1889521 0.84 PTGS2 (0.86) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL8297177 0.84 MEN1 (0.66) MEN1KMT2ARAB9ANPC1MAPT

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 MEN1 2959/4885KMT2A 3770/4885RAB9A 2158/4885
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta APP, BACE1, BACE2 MEN1 2959/4885KMT2A 3770/4885RAB9A 2158/4885
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.