SCHEMBL4875769

SCHEMBL4875769

Nc1ncnc(N)c1C#Cc1cccc(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.53
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
THRB P10828 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HDAC1 Q13547 1/20 0.49
ALDH1A1 P00352 3/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
POLB P06746 1/20 0.47
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
KEAP1 Q14145 2/20 0.45
IL1RN P18510 1/20 0.45
ERAP1 Q9NZ08 1/20 0.45
LRRK2 Q5S007 1/20 0.44

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
SCHEMBL4879656 0.90 L3MBTL1 (0.47) HTR6KMT2AMEN1ALDH1A1CA1
SCHEMBL4875782 0.89 CA12 (0.48) KMT2AALDH1A1CA1CA2POLB
SCHEMBL4879404 0.86 TSHR (0.52) KMT2AHDAC8HDAC1ALDH1A1CA1
SCHEMBL4880842 0.86 GAA (0.52) ALDH1A1CA1CA2CA12CA9
SCHEMBL4879480 0.85 HTR6 (0.56) HTR6KMT2AMEN1THRBHDAC8
SCHEMBL4878313 0.84 SLC22A12 (0.46) KMT2AMEN1PIK3CA
SCHEMBL4876133 0.84 BRAF (0.46) KMT2AMEN1ALDH1A1POLBHPGD
SCHEMBL16236512 0.82 HTR6 (0.45) HTR6KMT2AMEN1THRBHDAC8
SCHEMBL4876037 0.81 SLC22A12 (0.62) PIK3CA
SCHEMBL4878244 0.81 SGK1 (0.46) KMT2AMEN1THRBALDH1A1HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146599-A1 Pyrimidine Compounds Having Tie-2 (Tek) Inhibitory Activity ASTRAZENECA AB (SE) 2008-06-19 US disclosed
US-20080146599-A1 Pyrimidine Compounds Having Tie-2 (Tek) Inhibitory Activity ASTRAZENECA AB (SE) 2008-06-19 US disclosed
US-20080146599-A1 Pyrimidine Compounds Having Tie-2 (Tek) Inhibitory Activity ASTRAZENECA AB (SE) 2008-06-19 US disclosed
EP-1846399-A1 PYRIMIDINE COMPOUNDS HAVING TIE2 (TEK) INHIBITORY ACTIVITY AstraZeneca AB (SE) 2007-10-24 EP disclosed
WO-2006082371-A1 PYRIMIDINE COMPOUNDS HAVING TIE2 (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2006-08-10 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-20080146599-A1 Pyrimidine Compounds Having Tie-2 (Tek) Inhibitory Activity TIE1, TEK, KDR HTR6 866/4885KMT2A 210/4885MEN1 1907/4885

“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.