SCHEMBL12639826

SCHEMBL12639826

c1ccc(Nc2nc(-c3ccccn3)cs2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 1.00
MAPT P10636 4/20 1.00
NFKB1 P19838 3/20 1.00
NFKB2 Q00653 3/20 1.00
KMT2A Q03164 3/20 1.00
RELA Q04206 3/20 1.00
NPSR1 Q6W5P4 2/20 1.00
MEN1 O00255 2/20 1.00
PPP1CA P62136 2/20 1.00
NR1I2 O75469 1/20 1.00
NR4A1 P22736 1/20 0.78
VCP P55072 1/20 0.78
NPC1 O15118 3/20 0.76
HTT P42858 2/20 0.76
RAB9A P51151 2/20 0.76
CSNK2A1 P68400 1/20 0.75
MBD2 Q9UBB5 2/20 0.72
NPY5R Q15761 1/20 0.72
KCNN1 Q92952 2/20 0.72
KCNN2 Q9H2S1 2/20 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
SCHEMBL7678939 0.90 MAPT (0.81) SMN1; SMN2MAPTNFKB1NFKB2KMT2A
Bromide SCHEMBL7673197 0.88 MAPT (0.79) SMN1; SMN2MAPTNFKB1NFKB2KMT2A
SCHEMBL1887374 0.88 VCP (1.00) SMN1; SMN2MAPTNFKB1NFKB2KMT2A
SCHEMBL13803792 0.88 MAPT (0.78) SMN1; SMN2MAPTNFKB1NFKB2KMT2A
SCHEMBL1890717 0.86 MAPT (0.74) SMN1; SMN2MAPTNFKB1NFKB2KMT2A
SCHEMBL29602125 0.85 MAPT (0.74) SMN1; SMN2MAPTNFKB1NFKB2KMT2A
SCHEMBL6368825 0.85 MAPT (0.74) SMN1; SMN2MAPTNFKB1NFKB2KMT2A
SCHEMBL23657798 0.84 MAPT (0.72) SMN1; SMN2MAPTNFKB1NFKB2KMT2A
SCHEMBL13390238 0.84 MBD2 (1.00) SMN1; SMN2MAPTNFKB1NFKB2KMT2A
SCHEMBL30060152 0.84 MBD2 (1.00) SMN1; SMN2MAPTNFKB1NFKB2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066758-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF CANCERS, INCLUDING HEPATOCELLULAR CARCINOMA, AND AS INHIBITORS OF HEPATITIS VIRUS REPLICATION INSTITUTE FOR HEPATITIS AND VIRUS RESEARCH 2017-03-09 US claimed
US-20140249154-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF CANCERS, INCLUDING HEPATOCELLULAR CARCINOMA, AND AS INHIBITORS OF HEPATITIS VIRUS REPLICATION BARUCH S. BLUMBERG INSTITUTE 2014-09-04 US claimed
CN-103957908-A Substituted aminothiazoles as inhibitors of cancer including hepatocellular carcinoma and as inhibitors of hepatitis virus replication INST HEPATITIS & VIRUS RES 2014-07-30 CN claimed
US-10087173-B2 Substituted aminothiazoles as inhibitors of cancers, including hepatocellular carcinoma, and as inhibitors of hepatitis virus replication BARUCH S. BLUMBERG INSTITUTE 2018-10-02 US disclosed
US-20170066758-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF CANCERS, INCLUDING HEPATOCELLULAR CARCINOMA, AND AS INHIBITORS OF HEPATITIS VIRUS REPLICATION INSTITUTE FOR HEPATITIS AND VIRUS RESEARCH 2017-03-09 US disclosed
US-20170066758-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF CANCERS, INCLUDING HEPATOCELLULAR CARCINOMA, AND AS INHIBITORS OF HEPATITIS VIRUS REPLICATION INSTITUTE FOR HEPATITIS AND VIRUS RESEARCH 2017-03-09 US disclosed
US-20170066758-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF CANCERS, INCLUDING HEPATOCELLULAR CARCINOMA, AND AS INHIBITORS OF HEPATITIS VIRUS REPLICATION INSTITUTE FOR HEPATITIS AND VIRUS RESEARCH 2017-03-09 US disclosed
CN-105585565-A 2-phenylamino-4-thiazolyl pyridine derivatives, preparing method thereof, pharmaceutical compositions of the derivatives and uses of the derivatives INST MATERIA MEDICA CAMS 2016-05-18 CN disclosed
CN-105585565-A 2-phenylamino-4-thiazolyl pyridine derivatives, preparing method thereof, pharmaceutical compositions of the derivatives and uses of the derivatives INST MATERIA MEDICA CAMS 2016-05-18 CN disclosed
CN-105585565-A 2-phenylamino-4-thiazolyl pyridine derivatives, preparing method thereof, pharmaceutical compositions of the derivatives and uses of the derivatives INST MATERIA MEDICA CAMS 2016-05-18 CN disclosed
US-9079859-B2 Synthetic lethal targeting of glucose transport AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-14 US disclosed
US-20140249154-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF CANCERS, INCLUDING HEPATOCELLULAR CARCINOMA, AND AS INHIBITORS OF HEPATITIS VIRUS REPLICATION BARUCH S. BLUMBERG INSTITUTE 2014-09-04 US disclosed
US-20140249154-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF CANCERS, INCLUDING HEPATOCELLULAR CARCINOMA, AND AS INHIBITORS OF HEPATITIS VIRUS REPLICATION BARUCH S. BLUMBERG INSTITUTE 2014-09-04 US disclosed
US-20140249154-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF CANCERS, INCLUDING HEPATOCELLULAR CARCINOMA, AND AS INHIBITORS OF HEPATITIS VIRUS REPLICATION BARUCH S. BLUMBERG INSTITUTE 2014-09-04 US disclosed
CN-103957908-A Substituted aminothiazoles as inhibitors of cancer including hepatocellular carcinoma and as inhibitors of hepatitis virus replication INST HEPATITIS & VIRUS RES 2014-07-30 CN disclosed
US-20140128397-A1 SYNTHETIC LETHAL TARGETING OF GLUCOSE TRANSPORT RUGA CORPORATION 2014-05-08 US disclosed
US-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT AUCKLAND UNISERVICES LIMITED (NZ) 2011-05-05 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 (5 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 SMN1; SMN2 2531/4885MAPT 2506/4885NFKB1 2299/4885
US-10087173-B2 Substituted aminothiazoles as inhibitors of cancers, including hepatocellular carcinoma, and as inhibitors of hepatitis virus replication HDGF, HCCS, BCAT1 SMN1; SMN2 4776/4885MAPT 1418/4885NFKB1 927/4885
US-20140249154-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF CANCERS, INCLUDING HEPATOCELLULAR CARCINOMA, AND AS INHIBITORS OF HEPATITIS VIRUS REPLICATION HCCS, BCAT1, AADAT SMN1; SMN2 4745/4885MAPT 1916/4885NFKB1 838/4885
US-20170066758-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF CANCERS, INCLUDING HEPATOCELLULAR CARCINOMA, AND AS INHIBITORS OF HEPATITIS VIRUS REPLICATION HDGF, HCCS, BCAT1 SMN1; SMN2 4776/4885MAPT 1418/4885NFKB1 927/4885
US-20140128397-A1 SYNTHETIC LETHAL TARGETING OF GLUCOSE TRANSPORT SLC2A1, SLC2A3, SLC2A2 SMN1; SMN2 3423/4885MAPT 4397/4885NFKB1 1253/4885

“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.