SCHEMBL6744037

SCHEMBL6744037

Nc1nc(Nc2ccccc2)n[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 1.00
GFER P55789 2/20 1.00
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
MAPT P10636 2/20 0.66
JAK2 O60674 1/20 0.58
NPC1 O15118 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
CASP3 P42574 1/20 0.53
RAB9A P51151 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
SENP7 Q9BQF6 1/20 0.53

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
SCHEMBL17402829 0.90 GAA (0.81) GAAGFERMEN1KMT2AMAPT
SCHEMBL15904399 0.83 GAA (0.68) GAAGFERMEN1KMT2AMAPT
SCHEMBL18723653 0.83 GAA (0.68) GAAGFERMEN1KMT2AMAPT
SCHEMBL2086550 0.82 GAA (0.70) GAAGFERMEN1KMT2AMAPT
SCHEMBL12845739 0.81 GAA (0.70) GAAGFERMEN1KMT2AMAPT
SCHEMBL31272020 0.81 GAA (1.00) GAAGFERMEN1KMT2AMAPT
SCHEMBL16014459 0.81 GAA (0.70) GAAGFERMEN1KMT2AMAPT
SCHEMBL31271749 0.81 GAA (0.70) GAAGFERMEN1KMT2AMAPT
SCHEMBL18856549 0.81 GAA (0.70) GAAGFERMEN1KMT2AMAPT
SCHEMBL15606396 0.81 GAA (0.68) GAAGFERMEN1KMT2AMAPT

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 26 patents — showing the first 20. 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-20220112166-A1 Selective JAK2 Pseudokinase Ligands and Methods of Use YALE UNIVERSITY 2022-04-14 US disclosed
US-9896433-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2018-02-20 US disclosed
US-9896433-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2018-02-20 US disclosed
US-9693997-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-07-04 US disclosed
US-9693997-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-07-04 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-20140010783-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2014-01-09 US disclosed
US-8389557-B2 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-03-05 US disclosed
US-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-7884119-B2 protein tyrosine kinase receptor inhibitors such as 3-amino -1-(1H-indol-5-yl)carbonyl-5-[4-2-(pyrrolidin-1-yl)ethoxy]phenylamino]-1H-1,2,4-triazole, used for treating diseases and conditions associated with neovascularization and/or cell proliferation RIGEL PHARMACEUTICALS, INC. (US) 2011-02-08 US disclosed
US-7317031-B2 Substituted triazole diamine derivatives as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-01-08 US disclosed
US-7317031-B2 Substituted triazole diamine derivatives as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-01-08 US disclosed
CN-100357278-C Substituted triazole diamine derivatives as kinase inhibitors ORTHO MCNEIL PHARM INC (US) 2007-12-26 CN disclosed
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2007-09-13 US disclosed
CN-1575284-A Substituted triazole diamine derivatives as kinase inhibitors ORTHO MCNEIL PHARM INC (US) 2005-02-02 CN disclosed
US-20040077699-A1 Substituted triazole diamine derivatives as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-04-22 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 (6 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 GAA 54/4885GFER 3655/4885MEN1 4566/4885
US-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS AXL, TYRO3, FLT3 GAA 92/4885GFER 3828/4885MEN1 2103/4885
US-20220112166-A1 Selective JAK2 Pseudokinase Ligands and Methods of Use JAK2, JAK1, MCL1 GAA 4046/4885GFER 3753/4885MEN1 3323/4885
US-20040077699-A1 Substituted triazole diamine derivatives as kinase inhibitors MAP2K2, PRKDC, MAP2K3 GAA 2029/4885GFER 4650/4885MEN1 2738/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 GAA 427/4885GFER 3513/4885MEN1 3600/4885
US-20140010783-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS GAA 88/4885GFER 3631/4885MEN1 4686/4885

“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.