SCHEMBL2928086

SCHEMBL2928086

C=C(C)OC(=O)c1cc(C(C)(C)C)nn1-c1ccc(C(=O)OCC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ TSHR P16473 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ GRN P28799 1/20 0.45
▸ SORT1 Q99523 1/20 0.45
▸ POLB P06746 1/20 0.43
▸ HTT P42858 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ NTRK1 P04629 2/20 0.42
▸ NTRK2 Q16620 2/20 0.42
▸ NFE2 Q16621 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ USP2 O75604 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ CACNA1B Q00975 1/20 0.41
▸ APBA1 Q02410 1/20 0.41
▸ NPSR1 Q6W5P4 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
SCHEMBL3024153 0.84 ALDH1A1 (0.47) ALDH1A1TSHRSMN1; SMN2POLBHTT
SCHEMBL1517048 0.82 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2GRNSORT1POLB
SCHEMBL2083389 0.80 GRN (0.43) ALDH1A1GRNSORT1HPGDNTRK1
SCHEMBL2081991 0.79 ALDH1A1 (0.54) ALDH1A1TSHRSMN1; SMN2HTTHPGD
SCHEMBL15516453 0.79 GRN (0.51) ALDH1A1GRNSORT1POLBHTT
SCHEMBL12705321 0.79 GRN (0.68) ALDH1A1SMN1; SMN2GRNSORT1POLB
SCHEMBL20627057 0.77 NTRK1 (0.53) ALDH1A1TSHRSMN1; SMN2HTTHPGD
SCHEMBL1107588 0.77 GRN (0.49) ALDH1A1GRNSORT1POLBLMNA
SCHEMBL15485268 0.77 GRN (0.49) ALDH1A1SMN1; SMN2GRNSORT1POLB
SCHEMBL2924097 0.76 NTRK1 (0.52) ALDH1A1TSHRSMN1; SMN2GRNSORT1

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 ALDH1A1 1743/4885TSHR 584/4885SMN1; SMN2 2591/4885

“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.

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