SCHEMBL4513873

SCHEMBL4513873

NC(=S)Nc1ccncn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
EPHX2 P34913 1/20 0.42
MKNK1 Q9BUB5 2/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSP90AA1 P07900 1/20 0.40
P2RX7 Q99572 1/20 0.39
ATR Q13535 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TP53 P04637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TYR P14679 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL5262945 0.80 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4EPHX2
SCHEMBL4513869 0.80 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4EPHX2
SCHEMBL10310328 0.80 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4EPHX2
SCHEMBL31579540 0.80 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4EPHX2
SCHEMBL6816022 0.74 RAB9A (0.53) MAPTL3MBTL1ALDH1A1NAMPTALOX12
SCHEMBL25083726 0.73 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4EPHX2
SCHEMBL525427 0.73 RAB9A (0.61) MAPTL3MBTL1ALDH1A1TP53HSD17B10
SCHEMBL29399796 0.73 RAB9A (0.61) MAPTL3MBTL1ALDH1A1TP53HSD17B10
SCHEMBL5264810 0.73 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4EPHX2
SCHEMBL6816006 0.73 ALDH1A1 (0.54) MKNK1MAPTL3MBTL1CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US disclosed
EP-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 EP disclosed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 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 (4 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-20090233960-A1 Kinase Inhibitors ROCK1, MAP3K1, MAP3K11 CHRNB2 2454/4885CHRNB4 2916/4885CHRNA3 1656/4885
US-10087173-B2 Substituted aminothiazoles as inhibitors of cancers, including hepatocellular carcinoma, and as inhibitors of hepatitis virus replication HDGF, HCCS, BCAT1 CHRNB2 4884/4885CHRNB4 4882/4885CHRNA3 4863/4885
US-20140249154-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF CANCERS, INCLUDING HEPATOCELLULAR CARCINOMA, AND AS INHIBITORS OF HEPATITIS VIRUS REPLICATION HCCS, BCAT1, AADAT CHRNB2 4885/4885CHRNB4 4884/4885CHRNA3 4866/4885
US-20170066758-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF CANCERS, INCLUDING HEPATOCELLULAR CARCINOMA, AND AS INHIBITORS OF HEPATITIS VIRUS REPLICATION HDGF, HCCS, BCAT1 CHRNB2 4884/4885CHRNB4 4882/4885CHRNA3 4863/4885

“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.