SCHEMBL15499778

SCHEMBL15499778

CCCS(=O)(=O)c1ccccc1Nc1nc(SC)nc2ccnn12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 3/20 0.40
ADRA1D P25100 3/20 0.40
ADRA1A P35348 3/20 0.40
ADRA1B P35368 3/20 0.40
HTR6 P50406 1/20 0.35
ADRA2A P08913 1/20 0.32
THRB P10828 1/20 0.32
ZAP70 P43403 3/20 0.31
TRPV1 Q8NER1 1/20 0.31
NAAA Q02083 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
SCHEMBL1070526 0.83 CDK7 (0.38) ADRA1DADRA1AADRA1BADRA2A
SCHEMBL11919207 0.76 KCNN3 (0.33)
SCHEMBL12769217 0.73 METAP2 (0.42) THRB
SCHEMBL15219297 0.73 ALK (0.47) ZAP70
SCHEMBL19526842 0.71 PRKAB2 (0.38)
SCHEMBL15214952 0.68 CDK9 (0.41) ADRA1DADRA1AADRA1BADRA2A
SCHEMBL3024611 0.67 MAPKAPK2 (0.50)
SCHEMBL1070192 0.67 CDK7 (0.38) ADRA1DADRA1AADRA1BADRA2A
SCHEMBL19527077 0.66 KCNN3 (0.33)
SCHEMBL12584676 0.64 KCNN3 (0.33)

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-9273077-B2 Phosphorus derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-20140066406-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-03-06 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-20140066406-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 ADRA2C 3727/4885ADRA1D 3975/4885ADRA1A 4220/4885

“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.