SCHEMBL4875699

SCHEMBL4875699

Nc1ncnc(N)c1C#Cc1cccc(NS(=O)(=O)c2ccc(Cl)s2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KIT P10721 1/20 0.46
MAPT P10636 4/20 0.45
LMNA P02545 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
EIF2AK3 Q9NZJ5 1/20 0.44
PTPN2 P17706 4/20 0.43
PTPN1 P18031 4/20 0.43
PTPN5 P54829 4/20 0.43
HSPD1 P10809 3/20 0.43
HSPE1 P61604 3/20 0.43
PIK3CA P42336 2/20 0.43
TP53 P04637 2/20 0.43
NFKBIA P25963 1/20 0.42
RELA Q04206 1/20 0.42
PABPC1 P11940 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL4878313 0.81 SLC22A12 (0.46) MEN1KMT2APTPN2PTPN1PTPN5
SCHEMBL4875769 0.80 HTR6 (0.53) ALDH1A1LMNAMEN1KMT2ATDP1
SCHEMBL4878244 0.80 SGK1 (0.46) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL4879656 0.77 L3MBTL1 (0.47) ALDH1A1KITMEN1KMT2A
SCHEMBL4875782 0.76 CA12 (0.48) ALDH1A1KITMAPTKMT2APTPN2
SCHEMBL4876133 0.76 BRAF (0.46) ALDH1A1SMN1; SMN2KITLMNAMEN1
SCHEMBL4878331 0.74 KIT (0.46) KITLMNAPIK3CA
SCHEMBL4876461 0.74 TSHR (0.45) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL4879404 0.74 TSHR (0.52) ALDH1A1KMT2APTPN2PTPN1PTPN5
SCHEMBL4876037 0.74 SLC22A12 (0.62) PTPN2PTPN1PTPN5PIK3CA

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 6 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
CN-101151261-A Pyrimidine compounds having tie2 (TEK) inhibitory activity ASTRAZENECA AB (SE) 2008-03-26 CN 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 ALDH1A1 1838/4885SMN1; SMN2 3596/4885KIT 14/4885

“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.