SCHEMBL16667809

SCHEMBL16667809

Nc1nccc(O[C@H]2CCOC2)n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.43
AKT1 P31749 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
GRM4 Q14833 9/20 0.40
NUDT1 P36639 2/20 0.40
HDAC6 Q9UBN7 1/20 0.38
KRAS P01116 1/20 0.36
SOS1 Q07889 1/20 0.36
FFAR2 O15552 2/20 0.35
GRM5 P41594 2/20 0.35

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
SCHEMBL3416856 1.00 LRRK2 (0.43) LRRK2AKT1PIK3CAMTORGRM4
SCHEMBL3416862 1.00 LRRK2 (0.43) LRRK2AKT1PIK3CAMTORGRM4
SCHEMBL3415110 0.91 GRM4 (0.39) LRRK2AKT1PIK3CAMTORGRM4
SCHEMBL3415107 0.91 GRM4 (0.39) LRRK2AKT1PIK3CAMTORGRM4
SCHEMBL18072381 0.91 HDAC6 (0.44) LRRK2PIK3CAGRM4NUDT1HDAC6
SCHEMBL3411667 0.87 NUDT1 (0.44) NUDT1
SCHEMBL24983084 0.83 LRRK2 (0.44) LRRK2GRM4HDAC6KRASSOS1
SCHEMBL30849530 0.83 LRRK2 (0.44) LRRK2GRM4HDAC6KRASSOS1
SCHEMBL30849531 0.83 LRRK2 (0.44) LRRK2GRM4HDAC6KRASSOS1
SCHEMBL24983232 0.83 LRRK2 (0.44) LRRK2GRM4HDAC6KRASSOS1

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
EP-3060563-B1 RING-FUSED BICYCLIC PYRIDYL DERIVATIVES AS FGFR4 INHIBITORS NOVARTIS AG (CH) 2018-05-02 EP disclosed
US-9896449-B2 Ring-fused bicyclic pyridyl derivatives as FGFR4 inhibitors NOVARTIS AG (CH) 2018-02-20 US disclosed
US-20170066766-A1 Ring-fused bicyclic pyridyl derivatives as FGFR4 inhibitors NOVARTIS AG (CH) 2017-03-09 US disclosed
US-9533988-B2 Ring-fused bicyclic pyridyl derivatives as FGFR4 inhibitors NOVARTIS AG (CH) 2017-01-03 US disclosed
EP-3060563-A1 RING-FUSED BICYCLIC PYRIDYL DERIVATIVES AS FGFR4 INHIBITORS Novartis AG (CH) 2016-08-31 EP disclosed
US-20160102092-A1 Ring-fused bicyclic pyridyl derivatives as FGFR4 inhibitors NOVARTIS AG (CH) 2016-04-14 US disclosed
US-9266883-B2 Ring-fused bicyclic pyridyl derivatives as FGFR4 inhibitors NOVARTIS AG (CH) 2016-02-23 US disclosed
WO-2015059668-A1 RING-FUSED BICYCLIC PYRIDYL DERIVATIVES AS FGFR4 INHIBITORS NOVARTIS AG (CH) 2015-04-30 WO disclosed
US-20150119385-A1 Ring-fused bicyclic pyridyl derivatives as FGFR4 inhibitors NOVARTIS AG (CH) 2015-04-30 US 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-20150119385-A1 Ring-fused bicyclic pyridyl derivatives as FGFR4 inhibitors FGFR4, FGFR1, FGFR3 LRRK2 569/4885AKT1 2047/4885PIK3CA 59/4885
US-20160102092-A1 Ring-fused bicyclic pyridyl derivatives as FGFR4 inhibitors FGFR4, FGFR1, FGFR3 LRRK2 569/4885AKT1 2047/4885PIK3CA 59/4885
US-20170066766-A1 Ring-fused bicyclic pyridyl derivatives as FGFR4 inhibitors FGFR4, FGFR1, FGFR3 LRRK2 569/4885AKT1 2047/4885PIK3CA 59/4885

“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.