SCHEMBL10187765

SCHEMBL10187765

CNc1nc(Nc2ccccc2)ncc1C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.69
LRRK2 Q5S007 2/20 0.69
AURKA O14965 3/20 0.58
EGFR P00533 6/20 0.58
ITK Q08881 3/20 0.58
BTK Q06187 5/20 0.57
CDK2 P24941 4/20 0.57
IGF1R P08069 3/20 0.57
CDK1 P06493 3/20 0.57
SYK P43405 2/20 0.57
JAK3 P52333 2/20 0.57
GSK3B P49841 2/20 0.57
STK17A Q9UEE5 2/20 0.57
PLK4 O00444 1/20 0.57
PDPK1 O15530 1/20 0.57
PRKD3 O94806 1/20 0.57
MAP4K4 O95819 1/20 0.57
NTRK1 P04629 1/20 0.57
INSR P06213 1/20 0.57
LCK P06239 1/20 0.57

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
SCHEMBL10187818 0.90 AURKA (0.71) JAK2LRRK2AURKAEGFRITK
SCHEMBL12627326 0.87 AURKA (0.62) JAK2LRRK2AURKAEGFRITK
SCHEMBL13924046 0.84 AURKA (0.66) JAK2LRRK2AURKAEGFRITK
SCHEMBL13166254 0.83 AURKA (0.66) JAK2LRRK2AURKAEGFRITK
SCHEMBL29695644 0.83 CDK2 (0.64) JAK2LRRK2AURKAEGFRITK
SCHEMBL5413853 0.82 JAK2 (0.68) JAK2LRRK2AURKAEGFRITK
SCHEMBL10187853 0.82 AURKA (0.79) JAK2LRRK2AURKAEGFRITK
SCHEMBL2229953 0.81 AURKA (0.60) JAK2LRRK2AURKAEGFRITK
SCHEMBL10187876 0.81 CDK2 (0.53) JAK2LRRK2AURKAEGFRITK
SCHEMBL29695649 0.80 EGFR (0.61) JAK2LRRK2AURKAEGFRITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174691-A1 Protein Kinase Conjugates and Inhibitors CELGENE CAR LLC (BM) 2017-06-22 US disclosed
US-9556426-B2 Protein kinase conjugates and inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2017-01-31 US disclosed
US-9481654-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2016-11-01 US disclosed
US-9096624-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2015-08-04 US disclosed
US-20150158824-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2015-06-11 US disclosed
US-9040543-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2015-05-26 US disclosed
US-8962643-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2015-02-24 US disclosed
US-20140234333-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2014-08-21 US disclosed
US-8729087-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2014-05-20 US disclosed
US-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2013-09-05 US disclosed
US-8399433-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2013-03-19 US disclosed
US-20120213795-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-08-23 US disclosed
US-8193197-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2012-06-05 US disclosed
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2011-06-09 US disclosed
US-20110117073-A1 Protein Kinase Conjugates and Inhibitors AVILA THERAPEUTICS, INC. (US) 2011-05-19 US disclosed
US-20080306099-A1 Prevent transplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-12-11 US disclosed
US-20080194603-A1 Prevent transplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-08-14 US disclosed
US-20070203162-A1 Prevent transplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2007-08-30 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 (10 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-20140234333-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK2, JAK1, JAK3 JAK2 1/4885LRRK2 829/4885AURKA 590/4885
US-20120213795-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK2, JAK1, JAK3 JAK2 1/4885LRRK2 829/4885AURKA 590/4885
US-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS JAK2 15/4885LRRK2 854/4885AURKA 186/4885
US-20080194603-A1 Prevent transplant rejection; autoimmune diseases JAK1, JAK3, JAK2 JAK2 3/4885LRRK2 2716/4885AURKA 3390/4885
US-20170174691-A1 Protein Kinase Conjugates and Inhibitors MAP3K20, ADK, TTK JAK2 518/4885LRRK2 574/4885AURKA 31/4885
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS JAK2 15/4885LRRK2 854/4885AURKA 186/4885
US-20080306099-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 JAK2 3/4885LRRK2 2740/4885AURKA 3097/4885
US-20070203162-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 JAK2 3/4885LRRK2 2804/4885AURKA 3449/4885
US-20110117073-A1 Protein Kinase Conjugates and Inhibitors MAP3K20, PACSIN2, MAP3K9 JAK2 553/4885LRRK2 572/4885AURKA 37/4885
US-20150158824-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK2 2/4885LRRK2 787/4885AURKA 751/4885

“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.