SCHEMBL4724461

SCHEMBL4724461

O=[N+]([O-])c1ccc(OCCN2CCCC2)cc1F

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.65
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
HTT P42858 1/20 0.64
LTA4H P09960 6/20 0.59
PTGS2 P35354 3/20 0.59
PTGS1 P23219 2/20 0.59
ALDH1A1 P00352 3/20 0.55
TDP1 Q9NUW8 1/20 0.55
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HRH3 Q9Y5N1 3/20 0.52
LMNA P02545 1/20 0.52
ESR1 P03372 2/20 0.50
ESR2 Q92731 2/20 0.50
MCHR1 Q99705 1/20 0.49

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
SCHEMBL571755 0.99 KDM4E (0.66) KDM4EMEN1KMT2AHTTLTA4H
SCHEMBL572541 0.89 KDM4E (0.67) KDM4EMEN1KMT2AHTTLTA4H
SCHEMBL30402766 0.89 KDM4E (0.67) KDM4EMEN1KMT2AHTTLTA4H
SCHEMBL954152 0.88 KDM4E (0.70) KDM4EMEN1KMT2AHTTLTA4H
SCHEMBL1284211 0.82 LTA4H (0.56) KDM4EMEN1KMT2AHTTLTA4H
SCHEMBL1964818 0.82 KDM4E (0.66) KDM4EMEN1KMT2AHTTLTA4H
SCHEMBL6201365 0.82 KDM4E (0.63) KDM4EMEN1KMT2AHTTLTA4H
SCHEMBL22348748 0.82 LTA4H (0.62) KDM4EMEN1KMT2AHTTLTA4H
SCHEMBL6200538 0.81 KDM4E (0.64) KDM4EMEN1KMT2AHTTLTA4H
SCHEMBL1962920 0.81 KDM4E (0.67) KDM4EMEN1KMT2AHTTLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20120208792-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
US-20120208792-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
US-8168651-B2 Protein kinase modulators CYLENE PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-8168651-B2 Protein kinase modulators CYLENE PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-20090239859-A1 PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2009-09-24 US disclosed
US-20090239859-A1 PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2009-09-24 US disclosed
WO-2009108912-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2009-09-03 WO 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 (4 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 KDM4E 1551/4885MEN1 4074/4885KMT2A 2815/4885
US-20120208792-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 KDM4E 736/4885MEN1 3739/4885KMT2A 1381/4885
US-20090239859-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 KDM4E 736/4885MEN1 3739/4885KMT2A 1381/4885
US-20130030171-A1 Pyrimidinyl Aryl Urea Derivatives being FGF Inhibitors FGFR1, FGF1, FGF2 KDM4E 1551/4885MEN1 4074/4885KMT2A 2815/4885

“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.