SCHEMBL2086550

SCHEMBL2086550

Nc1nc(Nc2cccnc2)n[nH]1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.70
GFER P55789 2/20 0.70
MAPT P10636 1/20 0.59
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
JAK2 O60674 1/20 0.53
PNP P00491 1/20 0.48
METAP2 P50579 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
SCHEMBL6744037 0.82 GAA (1.00) GAAGFERMAPTMEN1KMT2A
SCHEMBL16014733 0.78
SCHEMBL18755108 0.78 JAK2 (0.58) GAAGFERJAK2
SCHEMBL12864572 0.74 GAA (0.68) GAAGFERMAPTMEN1KMT2A
SCHEMBL15606398 0.74 GAA (0.68) GAAGFERMAPTMEN1KMT2A
SCHEMBL6743326 0.74 GAA (1.00) GAAGFERMAPTMEN1KMT2A
SCHEMBL17402829 0.73 GAA (0.81) GAAGFERMAPTMEN1KMT2A
SCHEMBL1368828 0.73 KIF11 (0.60) MAPTKMT2A
SCHEMBL26107893 0.73 GAA (0.63) GAAGFERMAPTMEN1KMT2A
SCHEMBL29793056 0.73 KIF11 (0.60) MAPTKMT2A

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-4698519-A1 3,5-DIAMINOTRIAZOLE DERIVATIVES AND USES THEREOF FOR TREATING OCULAR DISEASES Centre National de la Recherche Scientifique (FR) 2026-02-25 EP disclosed
WO-2024218236-A1 3,5-DIAMINOTRIAZOLE DERIVATIVES AND USES THEREOF FOR TREATING OCULAR DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2024-10-24 WO disclosed
US-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 US disclosed
US-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 US disclosed
US-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 US disclosed
EP-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 EP disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
EP-1562589-A2 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2005-08-17 EP disclosed
US-20040214817-A1 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-10-28 US disclosed
WO-2004046120-A2 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-06-03 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-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K5 GAA 1264/4885GFER 4184/4885MAPT 937/4885
US-20040214817-A1 Diaminotriazoles useful as inhibitors of protein kinases MAP3K20, MAP3K1, MAP3K5 GAA 1264/4885GFER 4184/4885MAPT 937/4885

“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.