Sugi Predict

Sugi Predict / Compounds / SCHEMBL5807985

SCHEMBL5807985

SCHEMBL5807985

O=C(c1cccs1)c1cnn2c(-c3csc([N+](=O)[O-])c3)ccnc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDKN1A P38936 1/20 0.56
▸ MAP2K1 Q02750 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ DYRK1B Q9Y463 1/20 0.43
▸ TLR8 Q9NR97 1/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ PKM P14618 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ GSK3A P49840 2/20 0.38
▸ EPHA2 P29317 1/20 0.38
▸ PIM1 P11309 3/20 0.36
▸ LIMK1 P53667 2/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ MAPK13 O15264 2/20 0.36

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
SCHEMBL5807779 0.85 CDKN1A (0.60) CDKN1AMAP2K1CLK4DYRK1BTLR8
SCHEMBL5800073 0.85 CDKN1A (0.63) CDKN1AMAP2K1CLK4DYRK1BTLR8
SCHEMBL5808751 0.83 CDKN1A (0.50) CDKN1AMAP2K1CLK4DYRK1BTLR8
SCHEMBL5812391 0.82 CDKN1A (0.56) CDKN1AMAP2K1CLK4DYRK1BTLR8
SCHEMBL7360785 0.81 CDKN1A (0.59) CDKN1AMAP2K1CLK4DYRK1BTLR8
SCHEMBL5810768 0.80 CDKN1A (0.53) CDKN1AMAP2K1CLK4DYRK1BTLR8
SCHEMBL5797341 0.79 CDKN1A (0.49) CDKN1AMAP2K1CLK4DYRK1BMEN1
SCHEMBL5796875 0.78 CDKN1A (0.67) CDKN1AMAP2K1CLK4DYRK1BTLR8
SCHEMBL5823332 0.78 CDKN1A (0.67) CDKN1AMAP2K1CLK4DYRK1BTLR8
SCHEMBL5821447 0.78 CDKN1A (0.67) CDKN1AMAP2K1CLK4DYRK1BTLR8

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 28/4885MAP2K1 699/4885CLK4 2374/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS CDKN1A 89/4885MAP2K1 528/4885CLK4 1723/4885

“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.