SCHEMBL4879480

SCHEMBL4879480

Nc1ncc(C#Cc2cccc(NS(=O)(=O)c3ccccc3)c2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.56
PIK3CB P42338 1/20 0.55
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
THRB P10828 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HDAC1 Q13547 1/20 0.51
POLB P06746 1/20 0.49
KEAP1 Q14145 2/20 0.47
IL1RN P18510 1/20 0.47
ERAP1 Q9NZ08 1/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
GAA P10253 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46

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
SCHEMBL4875769 0.85 HTR6 (0.53) HTR6KMT2AMEN1THRBHDAC8
SCHEMBL14164306 0.80 PIK3CB (0.74) HTR6PIK3CBKMT2AMEN1POLB
SCHEMBL17868333 0.79 PIK3CB (0.67) HTR6PIK3CBKMT2AMEN1POLB
SCHEMBL16236512 0.78 HTR6 (0.45) HTR6KMT2AMEN1THRBHDAC8
SCHEMBL4720860 0.76 KDR (0.57) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL3580009 0.76 LCK (0.59)
SCHEMBL4879656 0.75 L3MBTL1 (0.47) HTR6KMT2AMEN1ALDH1A1CA1
SCHEMBL11028156 0.75 PGR (0.64) HTR6KMT2AMEN1THRBHDAC8
SCHEMBL16254730 0.75 HTR6 (0.59) HTR6KMT2AMEN1THRBHDAC8
SCHEMBL4717485 0.75 LCK (0.48)

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-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 866/4885PIK3CB 1466/4885KMT2A 210/4885

“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.