Sugi Predict

Sugi Predict / Compounds / SCHEMBL5808689

SCHEMBL5808689

SCHEMBL5808689

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDKN1A P38936 1/20 0.59
▸ KDM4E B2RXH2 3/20 0.48
▸ TLR8 Q9NR97 1/20 0.46
▸ MAP2K1 Q02750 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46
▸ DYRK1B Q9Y463 1/20 0.46
▸ NPC1 O15118 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ NFKB1 P19838 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ NFKB2 Q00653 2/20 0.42
▸ RELA Q04206 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ BRAF P15056 4/20 0.41
▸ EPHA2 P29317 1/20 0.38
▸ GSK3A P49840 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
SCHEMBL5807996 0.88 CDKN1A (0.59) CDKN1AKDM4ETLR8MAP2K1CLK4
SCHEMBL5812540 0.88 CDKN1A (0.59) CDKN1AKDM4ETLR8MAP2K1CLK4
SCHEMBL5811225 0.88 CDKN1A (0.59) CDKN1AKDM4ETLR8MAP2K1CLK4
SCHEMBL5809040 0.86 CDKN1A (0.56) CDKN1AKDM4ETLR8MAP2K1CLK4
SCHEMBL5814165 0.86 CDKN1A (0.56) CDKN1AKDM4ETLR8MAP2K1CLK4
SCHEMBL5812391 0.85 CDKN1A (0.56) CDKN1AKDM4ETLR8MAP2K1CLK4
SCHEMBL5821447 0.85 CDKN1A (0.67) CDKN1AKDM4ETLR8MAP2K1CLK4
SCHEMBL5796875 0.85 CDKN1A (0.67) CDKN1AKDM4ETLR8MAP2K1CLK4
SCHEMBL5946502 0.84 CDKN1A (0.55) CDKN1AKDM4ETLR8MAP2K1CLK4
Hydrochloric Acid SCHEMBL5810516 0.84 CDKN1A (0.66) CDKN1AKDM4ETLR8MAP2K1CLK4

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-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 28/4885KDM4E 1967/4885TLR8 4399/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS CDKN1A 89/4885KDM4E 2705/4885TLR8 4409/4885

“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.