SCHEMBL11955052

SCHEMBL11955052

CC(C)(C)CCCCC#N

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.34
LOX P28300 1/20 0.30
LOXL3 P58215 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30
CYP3A4 P08684 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL12933281 0.97 TSHR (0.43) TSHRALDH1A1TDP1MAPT
SCHEMBL14002143 0.97 TSHR (0.43) TSHRALDH1A1TDP1MAPT
SCHEMBL1521860 0.92
SCHEMBL14907 0.79
SCHEMBL13858659 0.79 TSHR (0.42) TSHRALDH1A1TDP1MAPT
SCHEMBL30156594 0.79 ALDH1A1 (0.43) TSHRALDH1A1TDP1MAPTMEN1
SCHEMBL23588027 0.77 TSHR (0.40) TSHRALDH1A1TDP1MAPT
SCHEMBL24562836 0.77 TSHR (0.40) TSHRALDH1A1TDP1MAPT
SCHEMBL2864686 0.75 TSHR (0.39) TSHRALDH1A1TDP1MAPTMEN1
SCHEMBL18799831 0.75 TSHR (0.50) TSHRALDH1A1TDP1MAPTMEN1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10464949-B2 Thiazolyl-containing compounds for treating proliferative diseases DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-11-05 US disclosed
US-20190119301-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-04-25 US disclosed
US-9828378-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-11-28 US disclosed
US-9828378-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-11-28 US disclosed
US-9637492-B2 Benzothiazole kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-05-02 US disclosed
US-9637492-B2 Benzothiazole kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-05-02 US disclosed
US-20160024099-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2016-01-28 US disclosed
US-20150225407-A1 Benzothiazole Kinase Inhibitors and Methods of Use INTELLIKINE LLC 2015-08-13 US disclosed
US-9096611-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2015-08-04 US disclosed
US-8993580-B2 Benzothiazole kinase inhibitors and methods of use INTELLIKINE LLC (US) 2015-03-31 US disclosed
US-20100009963-A1 KINASE ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-01-14 US disclosed
US-7585868-B2 Substituted pyrazolo[3,4-D]pyrimidines as kinase antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-09-08 US disclosed
US-7453011-B2 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor PROGEN PHARMACEUTICALS, INC. (US) 2008-11-18 US disclosed
US-7446229-B2 Bicyclic cannabinoids UNIVERSITY OF CONNECTICUT (US) 2008-11-04 US disclosed
US-7446229-B2 Bicyclic cannabinoids UNIVERSITY OF CONNECTICUT (US) 2008-11-04 US disclosed
US-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-12-20 US disclosed
US-20070287754-A1 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor PROGEN PHARMACEUTICALS, INC. 2007-12-13 US disclosed
US-7235695-B2 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor SLIL BIOMEDICAL CORPORATION 2007-06-26 US disclosed
US-20070135388-A1 Novel Bicyclic Cannabinoids UNIVERSITY OF CONNECTICUT 2007-06-14 US disclosed
US-20070135388-A1 Novel Bicyclic Cannabinoids UNIVERSITY OF CONNECTICUT 2007-06-14 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 (8 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-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine MTOR, PI4KA, PIK3CA TSHR 1986/4885ALDH1A1 4725/4885TDP1 2199/4885
US-20190119301-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES BTK, BCL9L, BCL9 TSHR 2001/4885ALDH1A1 3889/4885TDP1 958/4885
US-20100009963-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 TSHR 1811/4885ALDH1A1 4833/4885TDP1 3593/4885
US-10464949-B2 Thiazolyl-containing compounds for treating proliferative diseases BTK, BCL9L, BCL9 TSHR 2001/4885ALDH1A1 3889/4885TDP1 958/4885
US-20150225407-A1 Benzothiazole Kinase Inhibitors and Methods of Use MTOR, PDPK1, PIKFYVE TSHR 4020/4885ALDH1A1 4673/4885TDP1 1243/4885
US-20070135388-A1 Novel Bicyclic Cannabinoids CNR2, CNR1, GPR18 TSHR 2220/4885ALDH1A1 3976/4885TDP1 4562/4885
US-20070287754-A1 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor PAICS, DHPS, DHFR TSHR 2160/4885ALDH1A1 913/4885TDP1 1371/4885
US-20160024099-A1 KINASE INHIBITORS AND METHODS OF USE PIK3CA, MTOR, PDPK1 TSHR 3864/4885ALDH1A1 4685/4885TDP1 2140/4885

“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.