SCHEMBL1690481

SCHEMBL1690481

N#Cc1cncc(-c2cccnc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.68
CYP11B1 P15538 4/20 0.61
CYP17A1 P05093 1/20 0.61
CYP2A6 P11509 2/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CHRNB2 P17787 3/20 0.52
CHRNA5 P30532 3/20 0.52
CHRNA4 P43681 3/20 0.52
CYP19A1 P11511 1/20 0.50
GRM5 P41594 1/20 0.50
NEK1 Q96PY6 1/20 0.49
NPY5R Q15761 1/20 0.48
MEN1 O00255 1/20 0.46
PSIP1 O75475 1/20 0.46
AXL P30530 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
CHEK1 O14757 1/20 0.46

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
SCHEMBL13537172 0.85 CYP11B2 (0.71) CYP11B2CYP11B1CYP17A1CYP2A6ALDH1A1
SCHEMBL29809001 0.85 CYP11B2 (0.71) CYP11B2CYP11B1CYP17A1CYP2A6ALDH1A1
SCHEMBL2979806 0.85 CYP11B2 (0.56) CYP11B2CYP11B1CYP17A1ALDH1A1GRM5
SCHEMBL30346056 0.85 CYP11B2 (0.56) CYP11B2CYP11B1CYP17A1ALDH1A1GRM5
SCHEMBL2983844 0.84 CYP11B2 (0.61) CYP11B2CYP11B1CYP1A2CHRNB2CHRNA4
SCHEMBL17117024 0.83 CYP11B2 (0.58) CYP11B2CYP11B1CYP17A1MAP4K4
SCHEMBL6188982 0.81 CYP11B2 (1.00) CYP11B2CYP11B1CYP17A1CYP2A6ALDH1A1
Benzonitrile SCHEMBL29165371 0.81 CYP11B2 (0.79) CYP11B2CYP11B1CYP17A1CYP2A6ALDH1A1
SCHEMBL30726373 0.81 CYP11B2 (0.56) CYP11B2CYP11B1CYP2A6GRM5NPY5R
SCHEMBL1651440 0.81 CYP11B2 (0.56) CYP11B2CYP11B1CYP2A6GRM5NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8951503-B2 Optical determination of glucose utilizing boronic acid adducts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-02-10 US disclosed
US-20130121925-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-16 US disclosed
US-8394357-B2 Optical determination of glucose utilizing boronic acid adducts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-12 US disclosed
US-20120009126-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-01-12 US disclosed
US-7968714-B2 Optical determination of glucose utilizing boronic acid adducts REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-06-28 US disclosed
EP-2259061-A2 Boronic acid derivatives The Regents of The University of California (US) 2010-12-08 EP disclosed
EP-1960779-B1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS-II UNIV CALIFORNIA (US) 2010-08-25 EP disclosed
US-7781591-B2 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC (US) 2010-08-24 US disclosed
US-20090148344-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS SINGARAM BAKTHAN 2009-06-11 US disclosed
US-20090148956-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS SINGARAM BAKTHAN 2009-06-11 US disclosed
US-20090149656-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS SINGARAM BAKTHAN 2009-06-11 US disclosed
US-7470420-B2 Optical determination of glucose utilizing boronic acid adducts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-12-30 US disclosed
EP-1960779-A2 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS-II The Regents of the University of California (US) 2008-08-27 EP disclosed
US-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC 2007-12-13 US disclosed
WO-2007067743-A2 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS-II THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-06-14 WO disclosed
US-20060083688-A1 Optical determination of glucose utilizing boronic acid adducts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-04-20 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-20130121925-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS NISCH, FOSB, BLVRB CYP11B2 856/4885CYP11B1 813/4885CYP17A1 2802/4885
US-20090149656-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS NISCH, FOSB, BLVRB CYP11B2 856/4885CYP11B1 813/4885CYP17A1 2802/4885
US-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K7 CYP11B2 2155/4885CYP11B1 1865/4885CYP17A1 2818/4885
US-20120009126-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS NISCH, FOSB, BLVRB CYP11B2 856/4885CYP11B1 813/4885CYP17A1 2802/4885
US-20060083688-A1 Optical determination of glucose utilizing boronic acid adducts NISCH, FOSB, BLVRB CYP11B2 856/4885CYP11B1 813/4885CYP17A1 2802/4885

“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.