SCHEMBL4723486

SCHEMBL4723486

CCN1CCN(c2ccc([N+](=O)[O-])c(Cl)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
MAPK1 P28482 1/20 0.51
LMNA P02545 2/20 0.51
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
MAPT P10636 8/20 0.50
SIRT6 Q8N6T7 3/20 0.50
HPGD P15428 1/20 0.49
ALDH1A1 P00352 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTR6 P50406 1/20 0.47
BCL2A1 Q16548 1/20 0.47

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
SCHEMBL520215 0.84 SIRT6 (0.69) L3MBTL1MAPK1MAPTSIRT6ALDH1A1
SCHEMBL15994494 0.84 MAPT (0.46) L3MBTL1MAPK1LMNAMAPTSIRT6
SCHEMBL4772717 0.83 MAPT (0.72) L3MBTL1MAPK1LMNAOPRM1OPRD1
SCHEMBL22652221 0.83 L3MBTL1 (0.51) L3MBTL1MAPK1LMNAOPRM1OPRD1
SCHEMBL30679043 0.83 SIRT6 (0.72) L3MBTL1MAPK1LMNAOPRM1OPRD1
SCHEMBL4762192 0.83 MAPT (0.57) L3MBTL1MAPK1LMNAOPRM1OPRD1
SCHEMBL22652109 0.83 MAPT (0.49) L3MBTL1MAPK1LMNAOPRM1OPRD1
SCHEMBL2927491 0.82 GAA (0.55) L3MBTL1MAPK1LMNAOPRM1OPRD1
SCHEMBL4925099 0.81 HTR6 (0.57) L3MBTL1MAPK1LMNAMAPTSIRT6
SCHEMBL18092535 0.81 LMNA (0.49) L3MBTL1MAPK1LMNAOPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3102571-A1 SUBSTITUTED PYRIMIDINES USEFUL AS EGFR-T790M KINASE INHIBITORS Jiangsu Medolution Ltd. (CN) 2016-12-14 EP disclosed
WO-2015117547-A1 SUBSTITUTED PYRIMIDINES USEFUL AS EGFR-T790M KINASE INHIBITORS JIANGSU MEDOLUTION LIMITED (CN) 2015-08-13 WO disclosed
EP-1976847-B1 PYRIMIDINYL ARYL UREA DERIVATIVES BEING FGF INHIBITORS NOVARTIS AG (CH) 2015-06-17 EP disclosed
US-8759517-B2 Pyrirnidinyl aryl urea derivatives being FGF inhibitors NOVARTIS AG (CH) 2014-06-24 US disclosed
US-20130030171-A1 Pyrimidinyl Aryl Urea Derivatives being FGF Inhibitors NOVARTIS AG (CH) 2013-01-31 US disclosed
US-8293746-B2 Pyrimidinyl aryl urea derivatives being FGF inhibitors NOVARTIS AG (CH) 2012-10-23 US disclosed
CN-101336237-A Pyrimidinyl aryl urea derivatives being fgf inhibitors NOVARTIS AG (CH) 2008-12-31 CN disclosed
US-20080312248-A1 Pyrimidinyl Aryl Urea Derivatives Being Fgf Inhibitors NOVARTIS AG 2008-12-18 US disclosed
EP-1976847-A2 PYRIMIDINYL ARYL UREA DERIVATIVES BEING FGF INHIBITORS Novartis AG (CH) 2008-10-08 EP disclosed
WO-2007071752-A2 PYRIMIDINYL ARYL UREA DERIVATIVES BEING FGF INHIBITORS NOVARTIS AG (CH) 2007-06-28 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-20080312248-A1 Pyrimidinyl Aryl Urea Derivatives Being Fgf Inhibitors FGFR1, FGF1, FGF2 L3MBTL1 4564/4885MAPK1 50/4885LMNA 4188/4885
US-20130030171-A1 Pyrimidinyl Aryl Urea Derivatives being FGF Inhibitors FGFR1, FGF1, FGF2 L3MBTL1 4564/4885MAPK1 50/4885LMNA 4188/4885

“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.