SCHEMBL1964478

SCHEMBL1964478

O=[N+]([O-])c1ccc(S(=O)(=O)OCl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.55
CA1 P00915 7/20 0.55
CA9 Q16790 6/20 0.55
CA12 O43570 5/20 0.55
CA14 Q9ULX7 4/20 0.55
CA3 P07451 3/20 0.55
CA4 P22748 3/20 0.55
CA6 P23280 3/20 0.55
CA5A P35218 3/20 0.55
CA7 P43166 3/20 0.55
CA13 Q8N1Q1 3/20 0.55
CA5B Q9Y2D0 3/20 0.55
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
ALDH1A1 P00352 5/20 0.48
MAPT P10636 1/20 0.48
F2 P00734 2/20 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
SCHEMBL29488753 0.83 CA2 (0.59) CA2CA1CA9CA12CA14
SCHEMBL997443 0.83 CA2 (0.59) CA2CA1CA9CA12CA14
SCHEMBL8118078 0.80 KMT2A (0.66) CA2CA1CA5AMMP1MMP2
SCHEMBL30185020 0.79 CA1 (0.55) CA2CA1CA9CA12CA14
SCHEMBL1759354 0.79 CA2 (0.55) CA2CA1CA9CA12CA14
SCHEMBL29392071 0.79 CA2 (0.55) CA2CA1CA9CA12CA14
SCHEMBL29965676 0.79 CA2 (0.55) CA2CA1CA9CA12CA14
SCHEMBL468315 0.79 CA1 (0.55) CA2CA1CA9CA12CA14
SCHEMBL29657456 0.79 CA2 (0.55) CA2CA1CA9CA12CA14
SCHEMBL28190832 0.79 CA1 (0.61) CA2CA1CA9CA12CA14

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-8987251-B2 Triazolopyridine compounds as PIM kinase inhibitors ARRAY BIOPHARMA INC. (US) 2015-03-24 US disclosed
US-8853416-B2 Chemical compounds Janssen Pharmaceuticals, Inc. (US) 2014-10-07 US disclosed
US-20140045817-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-02-13 US disclosed
US-8575145-B2 Triazolopyridine compounds as PIM kinase inhibitors ARRAY BIOPHARMA INC. (US) 2013-11-05 US disclosed
US-20130274304-A1 Chemical Compounds Janssen Pharmaceuticals, Inc. 2013-10-17 US disclosed
EP-2334677-B1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2013-10-09 EP disclosed
EP-2334677-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS Array Biopharma, Inc. (US) 2011-06-22 EP disclosed
US-20110144085-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-16 US disclosed
WO-2010022076-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-02-25 WO disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 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 (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-20130274304-A1 Chemical Compounds SLC10A1, UGT1A3, UGT2B7 CA2 4312/4885CA1 4558/4885CA9 2083/4885
US-20110144085-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS PIM1, PIM2, PIM3 CA2 3608/4885CA1 4765/4885CA9 4343/4885
US-20140045817-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS PIM2, PIM1, PIM3 CA2 3323/4885CA1 4802/4885CA9 4661/4885

“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.