SCHEMBL3527181

SCHEMBL3527181

[c]1nccn1-c1ncc[nH]1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HIPK2 Q9H2X6 1/20 0.37
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 1/20 0.31

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
SCHEMBL114028 0.69 HIPK2 (0.41) HIPK2ALDH1A1SMN1; SMN2ALOX15
SCHEMBL9515906 0.68
SCHEMBL2068718 0.64 HIPK2 (0.35) HIPK2ALDH1A1SMN1; SMN2ALOX15
SCHEMBL7015002 0.64
SCHEMBL333104 0.62 CYP3A4 (0.41) HIPK2ALOX15
SCHEMBL308284 0.62 F2RL1 (0.41) HIPK2ALDH1A1SMN1; SMN2
SCHEMBL4456263 0.61 KDM4E (0.47) ALDH1A1
SCHEMBL3582119 0.61 HIPK2 (0.36) HIPK2ALDH1A1SMN1; SMN2
SCHEMBL753318 0.61 HIPK2 (0.36) HIPK2ALDH1A1SMN1; SMN2
SCHEMBL8648296 0.61 HIPK2 (0.36) HIPK2ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015173321-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING A PARTICULAR IMIDAZOLE COUPLER AND AN OXIDATION BASE L'OREAL (FR) 2015-11-19 WO claimed
US-8071616-B2 Pyridine, quinoline, and isoquinoline N-oxides as kinase inhibitors BAYER HEALTHCARE LLC (US) 2011-12-06 US claimed
US-20100152251-A1 PYRIDINE, QUINOLINE, AND ISOQUINOLINE N-OXIDES AS KINASE INHIBITORS DUMAS JACQUES 2010-06-17 US claimed
US-7678811-B2 Pyridine, quinoline, and isoquinoline N-oxides as kinase inhibitors BAYER HEALTHCARE LLC (US) 2010-03-16 US claimed
US-20070265315-A1 PYRIDINE, QUINOLINE, AND ISOQUINOLINE N-OXIDES AS KINASE INHIBITORS BAYER HEALTHCARE LLC 2007-11-15 US claimed
US-20030216396-A1 Pyridine, quinoline, and isoquinoline N-oxides as kinase inhibitors BAYER CORPORATION 2003-11-20 US claimed
WO-2003068229-A1 PYRIDINE, QUINOLINE, AND ISOQUINOLINE N-OXIDES AS KINASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-08-21 WO claimed
WO-2015173321-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING A PARTICULAR IMIDAZOLE COUPLER AND AN OXIDATION BASE L'OREAL (FR) 2015-11-19 WO disclosed
EP-1972623-A1 Arylpyridazines as fungicides Bayer CropScience AG (DE) 2008-09-24 EP 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-20070265315-A1 PYRIDINE, QUINOLINE, AND ISOQUINOLINE N-OXIDES AS KINASE INHIBITORS MAP2K2, MAP3K7, MAP4K2 HIPK2 270/4885ALDH1A1 1985/4885SMN1; SMN2 4261/4885
US-20030216396-A1 Pyridine, quinoline, and isoquinoline N-oxides as kinase inhibitors MAP2K2, MAP2K7, MAPK1 HIPK2 273/4885ALDH1A1 2400/4885SMN1; SMN2 4282/4885
US-20100152251-A1 PYRIDINE, QUINOLINE, AND ISOQUINOLINE N-OXIDES AS KINASE INHIBITORS MAP2K2, MAP2K7, MAPK1 HIPK2 273/4885ALDH1A1 2400/4885SMN1; SMN2 4282/4885

“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.