SCHEMBL4878313

SCHEMBL4878313

Nc1ncnc(N)c1C#Cc1cccc(NS(=O)(=O)c2ccccc2Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SGK1 O00141 2/20 0.43
PIK3CA P42336 1/20 0.42
PTPN2 P17706 2/20 0.42
PTPN1 P18031 2/20 0.42
PTPN5 P54829 2/20 0.42
NR1I2 O75469 3/20 0.41
CPT1A P50416 1/20 0.40
CPT1B Q92523 1/20 0.40
PGR P06401 1/20 0.40
SLC40A1 Q9NP59 1/20 0.40
MAP3K20 Q9NYL2 1/20 0.40
BRD4 O60885 1/20 0.39

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
SCHEMBL4878244 0.92 SGK1 (0.46) MEN1KMT2ASGK1PGRSLC40A1
SCHEMBL4876133 0.87 BRAF (0.46) SLC22A12MEN1KMT2ASGK1PIK3CA
SCHEMBL4876037 0.84 SLC22A12 (0.62) SLC22A12PIK3CAPTPN2PTPN1PTPN5
SCHEMBL4875769 0.84 HTR6 (0.53) MEN1KMT2APIK3CA
SCHEMBL4875699 0.81 ALDH1A1 (0.49) MEN1KMT2APIK3CAPTPN2PTPN1
SCHEMBL4878331 0.81 KIT (0.46) SGK1PIK3CA
SCHEMBL4879656 0.79 L3MBTL1 (0.47) MEN1KMT2A
SCHEMBL4875782 0.78 CA12 (0.48) KMT2APIK3CAPTPN2PTPN1PTPN5
SCHEMBL4879404 0.75 TSHR (0.52) KMT2APTPN2PTPN1PTPN5PGR
SCHEMBL4876461 0.75 TSHR (0.45) MEN1KMT2APIK3CA

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 SLC22A12 2993/4885MEN1 1907/4885KMT2A 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.