SCHEMBL4421820

SCHEMBL4421820

CN(C)C(=O)Cn1nc(C(C)(C)C)cc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRN P28799 9/20 0.58
SORT1 Q99523 9/20 0.58
KDM4E B2RXH2 2/20 0.58
NPC1 O15118 1/20 0.51
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
NPSR1 Q6W5P4 4/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
GAA P10253 1/20 0.39
AGTR1 P30556 1/20 0.39

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
SCHEMBL22637048 0.87 KDM4E (0.56) GRNSORT1KDM4ENPC1ALDH1A1
SCHEMBL574163 0.83 KDM4E (0.45) GRNSORT1KDM4ENPC1CNR1
SCHEMBL574145 0.81 GRN (0.64) GRNSORT1KDM4ENPC1CNR1
SCHEMBL2311794 0.80 GRN (0.66) GRNSORT1KDM4ENPC1CNR1
Hydrochloric Acid SCHEMBL2975622 0.79 GRN (0.63) GRNSORT1KDM4ENPC1CNR1
SCHEMBL2933232 0.76 GRN (0.61) GRNSORT1KDM4ENPC1CNR1
SCHEMBL19128583 0.75 GRN (0.59) GRNSORT1KDM4ENPC1CNR1
SCHEMBL13056666 0.75 GRN (0.64) GRNSORT1KDM4ENPC1CNR1
SCHEMBL4310512 0.75 GRN (0.59) GRNSORT1KDM4ENPC1CNR1
SCHEMBL1133872 0.75 GRN (0.59) GRNSORT1KDM4ENPC1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-11-15 US disclosed
US-8188113-B2 For example, 1-(5-(2-amino-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl)-3-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
EP-2063897-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2009-06-03 EP disclosed
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
WO-2008034008-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC. (US) 2008-03-20 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 (2 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-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES BRAF, PRKDC, RAF1 GRN 2787/4885SORT1 3502/4885KDM4E 2009/4885
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 GRN 2787/4885SORT1 3502/4885KDM4E 2009/4885

“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.