Sugi Predict

Sugi Predict / Compounds / SCHEMBL5809397

SCHEMBL5809397

SCHEMBL5809397

O=C(Nc1cc(-c2ccnc3c(C(=O)c4cccs4)cnn23)ccc1F)c1c(F)cccc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDKN1A P38936 1/20 0.59
▸ PIM1 P11309 4/20 0.43
▸ GSK3A P49840 3/20 0.43
▸ AKT1 P31749 2/20 0.43
▸ PIM3 Q86V86 2/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ BRAF P15056 5/20 0.42
▸ LIMK1 P53667 2/20 0.42
▸ TLR8 Q9NR97 1/20 0.41
▸ MAPK13 O15264 3/20 0.41
▸ MAPK9 P45984 2/20 0.41
▸ DAPK3 O43293 1/20 0.41
▸ NEK2 P51955 1/20 0.41
▸ PLK3 Q9H4B4 1/20 0.41
▸ EPHA2 P29317 1/20 0.40
▸ MAP2K1 Q02750 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ DYRK1B Q9Y463 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.38

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
SCHEMBL5799519 0.92 CDKN1A (0.57) CDKN1APIM1GSK3AAKT1PIM3
SCHEMBL5946594 0.90 CDKN1A (0.57) CDKN1APIM1GSK3AAKT1PIM3
SCHEMBL5812666 0.89 CDKN1A (0.72) CDKN1APIM1GSK3ABRAFMAPK13
SCHEMBL5808610 0.88 CDKN1A (0.57) CDKN1APIM1GSK3AAKT1PIM3
SCHEMBL5808333 0.85 CDKN1A (0.55) CDKN1APIM1GSK3AAKT1PIM3
SCHEMBL5806944 0.84 CDKN1A (0.55) CDKN1APIM1GSK3AAKT1PIM3
SCHEMBL5812735 0.84 CDKN1A (0.55) CDKN1APIM1GSK3AAKT1PIM3
SCHEMBL5799828 0.84 CDKN1A (0.55) CDKN1APIM1GSK3AAKT1PIM3
SCHEMBL5800434 0.83 CDKN1A (0.53) CDKN1APIM1GSK3AAKT1PIM3
SCHEMBL5807996 0.82 CDKN1A (0.59) CDKN1APIM1GSK3AKDM4EBRAF

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
WO-2006033796-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AND PROCESS FOR MAKING SAME WYETH (US) 2006-03-30 — — WO claimed
US-20060063785-A1 Substituted pyrazolo[1,5-a] pyrimidines and process for making same WYETH 2006-03-23 — — US claimed
WO-2006033795-A2 SUBSTITUTED PYRAZOLO [1, 5-A] PYRIMIDINES FOR INHIBITING ABNORMAL CELL GROWTH WYETH (US) 2006-03-30 — — WO disclosed
WO-2006033796-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AND PROCESS FOR MAKING SAME WYETH (US) 2006-03-30 — — WO disclosed
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines WYETH 2006-03-23 — — US disclosed
US-20060063785-A1 Substituted pyrazolo[1,5-a] pyrimidines and process for making same WYETH 2006-03-23 — — US 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 (2 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-20060063785-A1 Substituted pyrazolo[1,5-a] pyrimidines and process for making same TYMP, DPYD, TYMS CDKN1A 28/4885PIM1 586/4885GSK3A 3144/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS CDKN1A 89/4885PIM1 797/4885GSK3A 2702/4885

“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.