SCHEMBL4879404

SCHEMBL4879404

Nc1ncnc(N)c1C#Cc1cccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
PIK3CB P42338 1/20 0.50
KMT2A Q03164 1/20 0.49
GAA P10253 1/20 0.48
HSD17B2 P37059 1/20 0.47
FFAR1 O14842 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CDK7 P50613 1/20 0.46
CCNH P51946 1/20 0.46
CCNA1 P78396 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
PTPN2 P17706 2/20 0.46
PTPN1 P18031 2/20 0.46
PTPN5 P54829 2/20 0.46
HSPD1 P10809 1/20 0.46
HSPE1 P61604 1/20 0.46
NR3C1 P04150 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
SCHEMBL4875782 0.86 CA12 (0.48) KMT2APTPN2PTPN1PTPN5HSPD1
SCHEMBL4875769 0.86 HTR6 (0.53) KMT2AGAAFFAR4CA2CA1
SCHEMBL4879656 0.83 L3MBTL1 (0.47) KMT2AGAAFFAR4BRAFCA2
SCHEMBL4876037 0.81 SLC22A12 (0.62) PTPN2PTPN1PTPN5
SCHEMBL4880842 0.81 GAA (0.52) GAAFFAR4PTPN2PTPN1PTPN5
SCHEMBL4720436 0.81 TEK (0.61) KMT2ACDK1ABL1BCRBRAF
SCHEMBL14164190 0.81 PIK3CB (0.59) TSHRPIK3CBKMT2AGAAHSD17B2
SCHEMBL4876133 0.78 BRAF (0.46) KMT2APTPN2PTPN1PTPN5HSPD1
SCHEMBL4878331 0.76 KIT (0.46) BRAFCA2CA1CA12CA9
SCHEMBL4878313 0.75 SLC22A12 (0.46) KMT2APTPN2PTPN1PTPN5PGR

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
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 TSHR 3041/4885PIK3CB 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.