SCHEMBL5250741

SCHEMBL5250741

O=C1NN(c2ccccc2)Nc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.44
PDGFRA P16234 1/20 0.44
FER P16591 1/20 0.44
LTK P29376 1/20 0.44
CDK8 P49336 1/20 0.44
ACVR1 Q04771 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
TNKS2 Q9H2K2 2/20 0.42
PDE7A Q13946 1/20 0.40
PDE7B Q9NP56 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 4/20 0.38
CHEK1 O14757 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
GSK3B P49841 2/20 0.37
GAA P10253 3/20 0.36
GSK3A P49840 1/20 0.36

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
SCHEMBL8979742 0.79 GAA (0.37) PDE7APDE7BGSK3BGAAGSK3A
SCHEMBL29802978 0.72 PDGFRA (0.47) LRRK2PDGFRAFERLTKCDK8
SCHEMBL6656454 0.72 PDGFRA (0.47) LRRK2PDGFRAFERLTKCDK8
SCHEMBL4329667 0.68 PDGFRA (0.42) LRRK2PDGFRAFERLTKCDK8
SCHEMBL366728 0.65
SCHEMBL2420711 0.65 LRRK2 (0.90) LRRK2PDGFRAFERLTKCDK8
SCHEMBL28553833 0.65 TNKS2 (0.41) TNKS2ALDH1A1MEN1MAPK1KMT2A
SCHEMBL27980501 0.61 LRRK2 (0.82) LRRK2PDGFRAFERLTKCDK8
SCHEMBL1368292 0.61 LRRK2 (1.00) LRRK2PDGFRAFERLTKCDK8
SCHEMBL29509542 0.61 GAA (0.41) ALDH1A1MEN1KMT2AGSK3BGAA

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
EP-1696927-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2007-10-31 EP disclosed
US-20070060601-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2007-03-15 US disclosed
EP-1696927-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2006-09-06 EP disclosed
WO-2005065183-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2005-07-21 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-20070060601-A1 Mitotic kinesin inhibitors KIF5B, KIF2C, KIF18B LRRK2 1349/4885PDGFRA 3007/4885FER 2370/4885

“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.