SCHEMBL16014686

SCHEMBL16014686

Cn1ncnc1-c1ccc(Nc2n[nH]c(N)n2)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.52
GAA P10253 2/20 0.49
MEN1 O00255 1/20 0.49
GFER P55789 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 1/20 0.48

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
SCHEMBL18755264 0.89 JAK2 (0.61) JAK2GAAMEN1GFERKMT2A
SCHEMBL16014694 0.82 JAK2 (0.52) JAK2GAAMEN1GFERKMT2A
SCHEMBL15555851 0.77 JAK2 (0.76) JAK2GAAMEN1GFERKMT2A
SCHEMBL17394194 0.76 GAA (0.60) GAAMAPT
SCHEMBL31271944 0.75 GAA (0.69) JAK2GAAMEN1GFERKMT2A
SCHEMBL16015071 0.75 GAA (0.60) GAAGFERMAPT
SCHEMBL17402852 0.73
SCHEMBL15544102 0.72 GAA (0.59) JAK2GAAMEN1GFERKMT2A
SCHEMBL16014644 0.72 CYP3A4 (0.43) GAAMEN1KMT2AMAPT
SCHEMBL17402853 0.72 GAA (0.55) GAAMAPT

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
EP-2964633-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-04-19 EP disclosed
EP-2964633-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-04-19 EP disclosed
US-20170081312-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2017-03-23 US disclosed
US-20170081312-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2017-03-23 US disclosed
US-20170081312-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2017-03-23 US disclosed
US-9540345-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-01-10 US disclosed
US-9540345-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-01-10 US disclosed
US-9540345-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-01-10 US disclosed
EP-2964631-A1 NOVEL HALOGEN-SUBSTITUTED COMPOUNDS Bayer Animal Health GmbH (DE) 2016-01-13 EP disclosed
EP-2964633-A1 ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2016-01-13 EP disclosed
US-20150368228-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2015-12-24 US disclosed
US-20150368228-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2015-12-24 US disclosed
US-20150368228-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2015-12-24 US disclosed
WO-2014135439-A1 NOVEL HALOGEN-SUBSTITUTED COMPOUNDS BAYER CROPSCIENCE AG (DE) 2014-09-12 WO disclosed
WO-2014135471-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 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 (2 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-20170081312-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS JAK2 1017/4885GAA 54/4885MEN1 4566/4885
US-20150368228-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS JAK2 1017/4885GAA 54/4885MEN1 4566/4885

“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.