SCHEMBL4876133

SCHEMBL4876133

Nc1ncnc(N)c1C#Cc1cccc(NS(=O)(=O)c2ccccc2F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.46
SGK1 O00141 2/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC22A12 Q96S37 1/20 0.43
SMN1; SMN2 Q16637 1/20 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
HSPD1 P10809 1/20 0.42
HSPE1 P61604 1/20 0.42
PKM P14618 2/20 0.41
POLB P06746 1/20 0.41
KIT P10721 1/20 0.41
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
AURKA O14965 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL4878331 0.89 KIT (0.46) BRAFSGK1PIK3CAKITRAB9A
SCHEMBL4878313 0.87 SLC22A12 (0.46) SGK1MEN1KMT2ASLC22A12PIK3CA
SCHEMBL4876037 0.86 SLC22A12 (0.62) SLC22A12PIK3CAPTPN2PTPN1PTPN5
SCHEMBL4875769 0.84 HTR6 (0.53) ALDH1A1MEN1KMT2APIK3CAPKM
SCHEMBL4878244 0.83 SGK1 (0.46) SGK1ALDH1A1MEN1KMT2ALMNA
SCHEMBL4879656 0.83 L3MBTL1 (0.47) BRAFALDH1A1MEN1KMT2AKIT
SCHEMBL4875782 0.82 CA12 (0.48) BRAFALDH1A1KMT2APIK3CAPTPN2
SCHEMBL4879404 0.78 TSHR (0.52) BRAFALDH1A1KMT2APTPN2PTPN1
SCHEMBL4875699 0.76 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2PIK3CA
SCHEMBL4876461 0.75 TSHR (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2PIK3CA

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 BRAF 1830/4885SGK1 4711/4885ALDH1A1 1838/4885

“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.