SCHEMBL9980554

SCHEMBL9980554

O=S(=O)(c1ccccc1)n1nc(B(O)O)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 1/20 0.45
▸ HTR6 P50406 10/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ IDE P14735 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ RORC P51449 1/20 0.38
▸ PLK1 P53350 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CXCL8 P10145 1/20 0.37
▸ NOD1 Q9Y239 1/20 0.37

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
SCHEMBL30302187 0.75 RORC (0.54) SLC9A1HTR6LMNASMN1; SMN2MEN1
SCHEMBL6114039 0.75 ELANE (0.55) SLC9A1HTR6LMNASMN1; SMN2MEN1
SCHEMBL3040501 0.71 IDE (0.55) SLC9A1HTR6LMNASMN1; SMN2HTT
SCHEMBL590143 0.69 RORC (0.41) SLC9A1HTR6LMNASMN1; SMN2MEN1
SCHEMBL30322250 0.68 KDM4E (0.44) SLC9A1ALDH1A1TSHR
SCHEMBL17686675 0.68 KDM4E (0.44) SLC9A1ALDH1A1TSHR
SCHEMBL23570044 0.68 KDM4E (0.45) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL8789689 0.68 HTR6 (0.63) HTR6
SCHEMBL1544929 0.68 HTR6 (0.56) HTR6
SCHEMBL29737165 0.68 LMNA (0.62) HTR6LMNASMN1; SMN2MEN1KMT2A

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
US-8623857-B2 N-phenyl imidazole carboxamide inhibitors of 3-phosphoinositide-dependent protein kinase-1 MERCK SHARP & DOHME CORP. (US) 2014-01-07 — — US disclosed
EP-2627650-A2 N-PHENYL IMIDAZOLE CARBOXAMIDE INHIBITORS OF 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 Merck Sharp & Dohme Corp. (US) 2013-08-21 — — EP disclosed
US-20130079326-A1 N-PHENYL IMIDAZOLE CARBOXAMIDE INHIBITORS OF 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 MERCK SHARP & DOHME CORP. 2013-03-28 — — US disclosed
WO-2011149874-A2 N-PHENYL IMIDAZOLE CARBOXAMIDE INHIBITORS OF 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 SCHERING CORPORATION (US) 2011-12-01 — — 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-20130079326-A1 N-PHENYL IMIDAZOLE CARBOXAMIDE INHIBITORS OF 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 PDPK1, PDK1, PDK3 SLC9A1 2358/4885HTR6 1845/4885LMNA 4238/4885

“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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