SCHEMBL182463

SCHEMBL182463

CN1CCN(C(=O)COc2cc[c]cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
GAA P10253 2/20 0.60
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 3/20 0.56
TP53 P04637 1/20 0.55
KEAP1 Q14145 1/20 0.53
NFE2L2 Q16236 1/20 0.53
ACHE P22303 1/20 0.52
USP2 O75604 1/20 0.51
TPSAB1 Q15661 1/20 0.51
TPSD1 Q9BZJ3 1/20 0.51
TPSG1 Q9NRR2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HTR1A P08908 1/20 0.51
HTR1D P28221 1/20 0.51

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
SCHEMBL3159548 0.86 HPGD (0.65) POLBTDP1MEN1KMT2AALDH1A1
SCHEMBL182587 0.85 POLB (0.58) POLBL3MBTL1TDP1MEN1KMT2A
SCHEMBL14578666 0.84 L3MBTL1 (0.89) POLBL3MBTL1TDP1GAAMEN1
SCHEMBL3168393 0.84 HPGD (0.68) POLBTDP1MEN1KMT2AALDH1A1
SCHEMBL3160508 0.84 RAB9A (0.59) POLBGAAMEN1KMT2AALDH1A1
SCHEMBL4613783 0.84 KMT2A (0.55) POLBL3MBTL1TDP1GAAMEN1
SCHEMBL15134833 0.83 POLB (0.72) POLBL3MBTL1TDP1GAAMEN1
SCHEMBL13504116 0.83 POLB (0.72) POLBL3MBTL1TDP1GAAMEN1
SCHEMBL15134819 0.83 GAA (0.74) POLBL3MBTL1TDP1GAAMEN1
SCHEMBL3168918 0.83 POLB (0.64) POLBL3MBTL1TDP1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049502-B1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-04 EP claimed
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors NOVARTIS AG 2009-10-15 US claimed
EP-2049502-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS Novartis AG (CH) 2009-04-22 EP claimed
WO-2008012326-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-31 WO claimed
EP-2049502-B1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-04 EP disclosed
EP-1630165-B1 [1,2,4]TRIAZOLO[1,5-a]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF NIPPON KAYAKU KK (JP) 2010-03-31 EP disclosed
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors NOVARTIS AG 2009-10-15 US disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
EP-2049502-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS Novartis AG (CH) 2009-04-22 EP disclosed
WO-2008012326-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-31 WO disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
CN-1809570-A [1,2,4] triazolo [1, 5-a ] pyrimidin-2-ylurea derivatives and uses thereof NIPPON KAYAKU KK (JP) 2006-07-26 CN disclosed
EP-1630165-A1 [1,2,4 ]TRIAZOLO [1,5-A]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2006-03-01 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 (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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 POLB 4498/4885L3MBTL1 1326/4885TDP1 1223/4885
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors PDPK1, PI4KA, PIK3CA POLB 1893/4885L3MBTL1 4164/4885TDP1 3539/4885

“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.