SCHEMBL2906729

SCHEMBL2906729

CC(C)(C)c1cc(C(=O)O)n(-c2cccc(C#N)c2)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 4/20 0.69
SORT1 Q99523 4/20 0.69
KLKB1 P03952 3/20 0.48
MAP3K7 O43318 1/20 0.47
KDM4E B2RXH2 2/20 0.47
NOTUM Q6P988 1/20 0.46
NTRK1 P04629 1/20 0.45
NTRK2 Q16620 1/20 0.45
MAPK13 O15264 2/20 0.43
MAPK12 P53778 2/20 0.43
MAPK11 Q15759 2/20 0.43
MAPK14 Q16539 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
F10 P00742 1/20 0.42

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
SCHEMBL3830194 0.88 KLKB1 (0.63) GRNSORT1KLKB1
Hydrochloric Acid SCHEMBL7231382 0.86 KLKB1 (0.62) GRNSORT1KLKB1
SCHEMBL5058585 0.86 GRN (0.70) GRNSORT1KDM4ENTRK1NTRK2
SCHEMBL2922816 0.84 GRN (0.48) GRNSORT1KLKB1MAP3K7KDM4E
SCHEMBL23403905 0.83 KLKB1 (0.53) GRNSORT1KLKB1NOTUM
SCHEMBL1680141 0.83 F10 (0.53) GRNSORT1NOTUMALDH1A1GAA
SCHEMBL20569742 0.83 MAP3K7 (0.61) MAP3K7NTRK1NTRK2MAPK13MAPK12
SCHEMBL1646829 0.82 GRN (1.00) GRNSORT1KLKB1KDM4EMAPK13
Hydrochloric Acid SCHEMBL3830146 0.82 F10 (0.52) GRNSORT1NOTUMALDH1A1GAA
SCHEMBL16749343 0.82 GRN (0.76) GRNSORT1KLKB1KDM4EMAPK13

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-2481736-A1 Kinase inhibitors useful for the treatment of myleoproliferative diseases and other proliferative diseases Deciphera Pharmaceuticals, LLC. (US) 2012-08-01 EP disclosed
EP-2148677-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2010-02-03 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
WO-2008131276-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-10-30 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-20080269267-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES BRAF, RET, KIT GRN 3269/4885SORT1 1403/4885KLKB1 515/4885

“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.