SCHEMBL5058585

SCHEMBL5058585

CC(C)(C)c1cc(C(=O)O)n(-c2ccc(C#N)cc2)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 4/20 0.70
SORT1 Q99523 4/20 0.70
KDM4E B2RXH2 2/20 0.50
NTRK1 P04629 1/20 0.50
NTRK2 Q16620 1/20 0.50
CCR9 P51686 1/20 0.43
CDK8 P49336 1/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
MAPK14 Q16539 3/20 0.42
MAPK13 O15264 2/20 0.42
MAPK12 P53778 2/20 0.42
MAPK11 Q15759 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RPA1 P27694 1/20 0.41

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
SCHEMBL24467973 0.86 KLKB1 (0.54) GRNSORT1RPA1
SCHEMBL2906729 0.86 GRN (0.69) GRNSORT1KDM4ENTRK1NTRK2
SCHEMBL1600233 0.84 GRN (0.80) GRNSORT1KDM4ECDK8ALDH1A1
SCHEMBL2924097 0.83 NTRK1 (0.52) GRNSORT1KDM4ENTRK1NTRK2
SCHEMBL1646829 0.83 GRN (1.00) GRNSORT1KDM4EALDH1A1GAA
SCHEMBL3225544 0.82 TSHR (0.46) GRNSORT1KDM4EALDH1A1GAA
SCHEMBL18277669 0.80 GRN (0.72) GRNSORT1KDM4ENTRK1NTRK2
SCHEMBL15485403 0.80 GRN (0.72) GRNSORT1KDM4ECDK8ALDH1A1
SCHEMBL15517806 0.78 GRN (0.70) GRNSORT1KDM4ECDK8ALDH1A1
SCHEMBL1012589 0.77 NTRK1 (0.43) GRNSORT1KDM4ENTRK1NTRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2481736-A1 Kinase inhibitors useful for the treatment of myleoproliferative diseases and other proliferative diseases Deciphera Pharmaceuticals, LLC. (US) 2012-08-01 EP disclosed
US-20080269267-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-10-30 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 (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-20080269267-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES BRAF, RET, KIT GRN 3269/4885SORT1 1403/4885KDM4E 1017/4885

“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.