SCHEMBL4231806

SCHEMBL4231806

N#Cc1cnc2ccccc2c1CCl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.50
RAF1 P04049 1/20 0.44
MAP2K1 Q02750 1/20 0.44
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
POLB P06746 1/20 0.41
GPR3 P46089 1/20 0.39
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SRC P12931 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PIN1 Q13526 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 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
SCHEMBL4572184 0.83 LRRK2 (0.54) LRRK2RAF1MAP2K1KDM4EALDH1A1
SCHEMBL3156282 0.83 LRRK2 (0.50) LRRK2RAF1MAP2K1KDM4EALDH1A1
SCHEMBL27668262 0.80 LRRK2 (0.57) LRRK2RAF1MAP2K1KDM4EALDH1A1
SCHEMBL1346465 0.77 LRRK2 (0.54) LRRK2RAF1MAP2K1KDM4EALDH1A1
SCHEMBL4063577 0.77 LRRK2 (0.48) LRRK2RAF1MAP2K1SRCIMPDH2
SCHEMBL27668508 0.76 TLR7 (0.47) LRRK2RAF1MAP2K1KDM4EALDH1A1
SCHEMBL11940537 0.74 KMT2A (0.45) LRRK2RAF1MAP2K1KDM4EALDH1A1
SCHEMBL1164857 0.74 LRRK2 (0.54) LRRK2RAF1MAP2K1KDM4EALDH1A1
SCHEMBL1344423 0.74 LRRK2 (0.54) LRRK2RAF1MAP2K1KDM4EALDH1A1
SCHEMBL3151307 0.74 LRRK2 (0.58) LRRK2RAF1MAP2K1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192138-A1 COMPOUNDS BAESCHLIN DANIEL KASPAR 2009-07-30 US disclosed
CN-101384594-A Condensed heterocyclic compounds useful as dpp-iv inhibitors NOVARTIS AG (CH) 2009-03-11 CN disclosed
EP-1966215-A1 CONDENSED HETEROCYCLIC COMPOUNDS USEFUL AS DPP-IV INHIBITORS Novartis AG (CH) 2008-09-10 EP disclosed
WO-2007071738-A1 CONDENSED HETEROCYCLIC COMPOUNDS USEFUL AS DPP-IV 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 (1 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-20090192138-A1 COMPOUNDS DPP4, DPP3, DPP8 LRRK2 3412/4885RAF1 4422/4885MAP2K1 4626/4885

“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.