Sugi Predict

Sugi Predict / Compounds / SCHEMBL5806944

SCHEMBL5806944

SCHEMBL5806944

CC(C)(C)CC(=O)Nc1cc(-c2ccnc3c(C(=O)c4cccs4)cnn23)ccc1F

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDKN1A P38936 1/20 0.55
▸ BRAF P15056 7/20 0.44
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ KCNQ3 O43525 1/20 0.40
▸ KCNQ2 O43526 1/20 0.40
▸ TLR8 Q9NR97 1/20 0.39
▸ PIM1 P11309 2/20 0.39
▸ LIMK1 P53667 2/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ GSK3A P49840 2/20 0.38
▸ EPHA2 P29317 1/20 0.38
▸ MAPK13 O15264 1/20 0.38
▸ MARK2 Q7KZI7 1/20 0.38
▸ AKT1 P31749 1/20 0.38
▸ PIM3 Q86V86 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
SCHEMBL5812735 0.89 CDKN1A (0.55) CDKN1ABRAFKDM4ETLR8PIM1
SCHEMBL5810708 0.88 CDKN1A (0.52) CDKN1ABRAFKDM4ETLR8PIM1
SCHEMBL5822373 0.86 CDKN1A (0.71) CDKN1ABRAFTLR8PIM1GSK3A
SCHEMBL5808333 0.85 CDKN1A (0.55) CDKN1ABRAFHDAC1HDAC2KDM4E
SCHEMBL5946594 0.84 CDKN1A (0.57) CDKN1ABRAFKDM4ETLR8PIM1
SCHEMBL5799519 0.84 CDKN1A (0.57) CDKN1ABRAFKDM4EPIM1LIMK1
SCHEMBL5809397 0.84 CDKN1A (0.59) CDKN1ABRAFKDM4ETLR8PIM1
SCHEMBL5799828 0.84 CDKN1A (0.55) CDKN1ABRAFHDAC1HDAC2KDM4E
SCHEMBL5800434 0.83 CDKN1A (0.53) CDKN1ABRAFKDM4ETLR8PIM1
SCHEMBL5808610 0.82 CDKN1A (0.57) CDKN1ABRAFKDM4EPIM1LIMK1

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 28/4885BRAF 214/4885HDAC1 2680/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS CDKN1A 89/4885BRAF 523/4885HDAC1 1859/4885

“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.