SCHEMBL2014076

SCHEMBL2014076

[NH]c1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.66
RAB9A P51151 1/20 0.66
LTA4H P09960 1/20 0.64
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA7 P43166 1/20 0.62
CA9 Q16790 1/20 0.62
ALDH1A1 P00352 3/20 0.62
MAPK1 P28482 2/20 0.62
CYP1A2 P05177 1/20 0.62
CHRM2 P08172 1/20 0.62
CHRM1 P11229 1/20 0.62
HTR2A P28223 1/20 0.62
SCN1A P35498 1/20 0.62
HTR2B P41595 1/20 0.62
KCNH2 Q12809 1/20 0.62
SCN2A Q99250 1/20 0.62
SIGMAR1 Q99720 1/20 0.62
SCN3A Q9NY46 1/20 0.62

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
SCHEMBL14577989 0.86 NPC1 (0.69) NPC1RAB9ALTA4HCA12CA1
SCHEMBL374497 0.83 LTA4H (0.67) NPC1RAB9ALTA4HCA12CA1
SCHEMBL82383 0.83 ALDH1A1 (0.67) NPC1RAB9ALTA4HCA12CA1
SCHEMBL3562722 0.83 NPC1 (0.66) NPC1RAB9ALTA4HCA12CA1
SCHEMBL1958165 0.83 NPC1 (0.66) NPC1RAB9ALTA4HCA12CA1
SCHEMBL14084486 0.83 NPC1 (0.66) NPC1RAB9ALTA4HCA12CA1
SCHEMBL1992183 0.83 NPC1 (0.66) NPC1RAB9ALTA4HCA12CA1
SCHEMBL19560190 0.83 LTA4H (0.67) NPC1RAB9ALTA4HCA12CA1
SCHEMBL29508217 0.83 ALDH1A1 (0.88) NPC1RAB9ALTA4HCA12CA1
SCHEMBL158399 0.83 TSHR (0.85) NPC1RAB9ALTA4HCA12CA1

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
US-20130030171-A1 Pyrimidinyl Aryl Urea Derivatives being FGF Inhibitors NOVARTIS AG (CH) 2013-01-31 US claimed
US-20080312248-A1 Pyrimidinyl Aryl Urea Derivatives Being Fgf Inhibitors NOVARTIS AG 2008-12-18 US claimed
EP-1976847-A2 PYRIMIDINYL ARYL UREA DERIVATIVES BEING FGF INHIBITORS Novartis AG (CH) 2008-10-08 EP claimed
WO-2007071752-A2 PYRIMIDINYL ARYL UREA DERIVATIVES BEING FGF INHIBITORS NOVARTIS AG (CH) 2007-06-28 WO claimed
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
EP-2512476-A1 METHOD FOR TREATING HAEMATOLOGICAL CANCERS Novartis AG (CH) 2012-10-24 EP disclosed
US-8293746-B2 Pyrimidinyl aryl urea derivatives being FGF inhibitors NOVARTIS AG (CH) 2012-10-23 US disclosed
US-20120258940-A1 METHOD FOR TREATING HAEMATOLOGICAL CANCERS NOVARTIS AG (CH) 2012-10-11 US disclosed
WO-2011075620-A1 METHOD FOR TREATING HAEMATOLOGICAL CANCERS NOVARTIS AG (CH) 2011-06-23 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 (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-20120258940-A1 METHOD FOR TREATING HAEMATOLOGICAL CANCERS FGFR3, FGFR2, FGFR1 NPC1 4407/4885RAB9A 3103/4885LTA4H 4081/4885
US-20080312248-A1 Pyrimidinyl Aryl Urea Derivatives Being Fgf Inhibitors FGFR1, FGF1, FGF2 NPC1 2441/4885RAB9A 1936/4885LTA4H 3869/4885
US-20130030171-A1 Pyrimidinyl Aryl Urea Derivatives being FGF Inhibitors FGFR1, FGF1, FGF2 NPC1 2441/4885RAB9A 1936/4885LTA4H 3869/4885

“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.