SCHEMBL14549704

SCHEMBL14549704

COC(=O)Nc1cc(C(C)(C)C)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3C3 Q8NEB9 2/20 0.51
▸ JAK2 O60674 2/20 0.49
▸ JAK1 P23458 1/20 0.49
▸ TYK2 P29597 1/20 0.49
▸ AAK1 Q2M2I8 15/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CYP3A4 P08684 2/20 0.43
▸ CIT O14578 2/20 0.42
▸ MKNK1 Q9BUB5 2/20 0.42
▸ MYLK2 Q9H1R3 2/20 0.42
▸ GAK O14976 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ TNIK Q9UKE5 1/20 0.42
▸ DAPK3 O43293 1/20 0.42
▸ DAPK1 P53355 1/20 0.42
▸ MAP2K1 Q02750 1/20 0.42
▸ PKN2 Q16513 1/20 0.42
▸ TLK2 Q86UE8 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
SCHEMBL12203080 0.85 GAA (0.59) PIK3C3ALDH1A1GAAL3MBTL1
SCHEMBL2635471 0.83 NR3C2 (0.47) PIK3C3ALDH1A1GAAL3MBTL1
SCHEMBL84506 0.83 L3MBTL1 (0.52) PIK3C3JAK2JAK1TYK2L3MBTL1
SCHEMBL59392 0.83 GCK (0.47) ALDH1A1GAAL3MBTL1
SCHEMBL5029364 0.82 NR3C2 (0.59) —
SCHEMBL12203086 0.82 SMN1; SMN2 (0.48) ALDH1A1L3MBTL1
SCHEMBL12203066 0.81 GCK (0.54) ALDH1A1HIPK4MKNK2
SCHEMBL12203077 0.79 MAPK14 (0.51) JAK2TYK2ALDH1A1GAAL3MBTL1
SCHEMBL12203151 0.79 SMN1; SMN2 (0.49) ALDH1A1GAAHIPK4MKNK2
SCHEMBL26661469 0.79 JAK2 (0.50) JAK2JAK1TYK2ALDH1A1GAA

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
US-9284301-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2016-03-15 — — US disclosed
US-20130012511-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME LLC 2013-01-10 — — 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-20130012511-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS PDE3B, PDE3A, GUCY1B1 PIK3C3 3913/4885JAK2 525/4885JAK1 474/4885

“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.

Send feedback