SCHEMBL1770830

SCHEMBL1770830

Cc1cc(-c2cccnc2)c(C)cc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.52
CYP11B2 P19099 1/20 0.52
CYP2A6 P11509 9/20 0.51
CYP3A4 P08684 5/20 0.51
CYP2E1 P05181 4/20 0.51
CYP2C9 P11712 4/20 0.51
CYP2B6 P20813 4/20 0.51
CYP2D6 P10635 3/20 0.51
CYP2C19 P33261 3/20 0.51
MKNK1 Q9BUB5 2/20 0.48
MKNK2 Q9HBH9 2/20 0.48
TDO2 P48775 1/20 0.47
MEN1 O00255 1/20 0.47
PSIP1 O75475 1/20 0.47
AXL P30530 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
WNT1 P04628 1/20 0.45
DYRK1A Q13627 1/20 0.45
SLC2A1 P11166 1/20 0.45

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
SCHEMBL7089008 0.90 CYP2A6 (0.51) CYP11B1CYP11B2CYP2A6CYP3A4CYP2E1
SCHEMBL29394740 0.89 CYP2A6 (0.61) CYP11B1CYP11B2CYP2A6CYP3A4CYP2E1
SCHEMBL27717288 0.85 CYP11B1 (0.49) CYP11B1CYP11B2CYP2A6CYP3A4CYP2E1
SCHEMBL18312170 0.83 CYP11B1 (0.59) CYP11B1CYP11B2CYP2A6CYP3A4CYP2E1
SCHEMBL25871388 0.81 CYP11B1 (0.54) CYP11B1CYP11B2CYP2A6CYP3A4CYP2E1
SCHEMBL21742649 0.81 CYP11B1 (0.54) CYP11B1CYP11B2CYP2A6CYP3A4CYP2E1
SCHEMBL30714540 0.79 AXL (0.56) CYP11B1CYP11B2CYP2A6CYP3A4CYP2E1
SCHEMBL1439800 0.79 AXL (0.56) CYP11B1CYP11B2CYP2A6CYP3A4CYP2E1
SCHEMBL16826222 0.78 CYP2A6 (0.50) CYP11B1CYP11B2CYP2A6CYP3A4CYP2E1
SCHEMBL27635537 0.77 DHFR (0.49) CYP2A6CYP3A4CYP2B6TDO2ALDH1A1

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-8859574-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2014-10-14 US disclosed
US-20130310361-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2013-11-21 US disclosed
US-8519129-B2 Pyrimidine derivatives as kinase inhibitors IRM LLC (BM) 2013-08-27 US disclosed
US-8445505-B2 Pyrimidine derivatives as kinase inhibitors IRM LLC (BM) 2013-05-21 US disclosed
US-8445505-B2 Pyrimidine derivatives as kinase inhibitors IRM LLC (BM) 2013-05-21 US disclosed
US-8445505-B2 Pyrimidine derivatives as kinase inhibitors IRM LLC (BM) 2013-05-21 US disclosed
EP-2331526-A2 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-06-15 EP disclosed
US-20110112063-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-05-12 US disclosed
US-20110112096-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS ITM LLC (BM) 2011-05-12 US disclosed
US-20110112096-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS ITM LLC (BM) 2011-05-12 US disclosed
US-20110112096-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS ITM LLC (BM) 2011-05-12 US disclosed
EP-2318392-A2 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-05-11 EP disclosed
WO-2010002655-A2 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-01-07 WO disclosed
WO-2009158431-A2 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-12-30 WO disclosed
WO-2009158431-A2 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-12-30 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 (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-20130310361-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IGF1R, IRS1, IP6K1 CYP11B1 3762/4885CYP11B2 4249/4885CYP2A6 3653/4885
US-20110112096-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IGF1R, TYMP, PDXK CYP11B1 3256/4885CYP11B2 3526/4885CYP2A6 2951/4885
US-20110112063-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IGF1R, TYMP, PDXK CYP11B1 3374/4885CYP11B2 3784/4885CYP2A6 3144/4885

“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.