SCHEMBL12110220

SCHEMBL12110220

CC(C)c1cc(S(C)(=O)=O)cc2[nH]cnc12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.36
▸ PNP P00491 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ C1S P09871 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ NR1H2 P55055 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32
▸ METAP2 P50579 1/20 0.31
▸ GCK P35557 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ PRNP P04156 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL16378466 0.79 MEN1 (0.43) PNPMEN1KMT2AC1SMETAP2
SCHEMBL18999656 0.75 GABRA1 (0.37) PNPMEN1KMT2AHSP90AB1METAP2
SCHEMBL17661910 0.73 GABRA1 (0.42) PNPMEN1KMT2AHSP90AB1ALDH1A1
SCHEMBL12110225 0.73 ACLY (0.35) PNPMEN1KMT2AHSP90AB1ALDH1A1
SCHEMBL17127786 0.71 PNP (0.33) PNPMEN1KMT2AHSP90AB1ALDH1A1
SCHEMBL18254476 0.70 QPCT (0.33) PNPMEN1KMT2AHSP90AB1ALDH1A1
SCHEMBL12110221 0.70 CTSS (0.39) PNPMEN1KMT2AALDH1A1PRNP
SCHEMBL12110214 0.70 HSP90AA1 (0.36) HSP90AA1HRH4NR1H2NR1H3METAP2
SCHEMBL12110226 0.69 METAP2 (0.56) HSP90AA1METAP2
SCHEMBL19651820 0.69 PDE9A (0.41) HSP90AA1PNPMEN1KMT2AHSP90AB1

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-8921361-B2 Triazine, pyrimidine and pyridine analogs and their use as therapeutic agents and diagnostic probes UNIVERSITY OF BASEL (CH) 2014-12-30 — — US disclosed
US-20110275762-A1 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2011-11-10 — — 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-20110275762-A1 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES MTOR, PIK3CA, PIK3CD HSP90AA1 3292/4885PNP 299/4885MEN1 3339/4885

“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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