Sugi Predict

Sugi Predict / Compounds / SCHEMBL5797341

SCHEMBL5797341

SCHEMBL5797341

O=C(c1cccs1)c1cnn2c(-c3cc([N+](=O)[O-])ccc3Cl)ccnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDKN1A P38936 1/20 0.49
▸ KMT2A Q03164 5/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TNFSF11 O14788 1/20 0.37
▸ TNF P01375 1/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ HTT P42858 1/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ PKM P14618 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAP2K1 Q02750 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ DYRK1B Q9Y463 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CCNB2 O95067 1/20 0.36
▸ CDK1 P06493 1/20 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
SCHEMBL5812241 0.85 CDKN1A (0.52) CDKN1AKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL5800073 0.84 CDKN1A (0.63) CDKN1AKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL5800283 0.79 CDKN1A (0.55) CDKN1AKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL5807985 0.79 CDKN1A (0.56) CDKN1AKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL5812540 0.77 CDKN1A (0.59) CDKN1AKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL5808751 0.77 CDKN1A (0.50) CDKN1AKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL5798411 0.77 CDKN1A (0.53) CDKN1AKMT2AALDH1A1MAPTRAB9A
SCHEMBL5797736 0.77 CDKN1A (0.53) CDKN1AKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL5807901 0.76 CDKN1A (0.52) CDKN1AKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL5812391 0.76 CDKN1A (0.56) CDKN1AKMT2AALDH1A1MAPTSMN1; SMN2

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 28/4885KMT2A 2596/4885ALDH1A1 848/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS CDKN1A 89/4885KMT2A 2890/4885ALDH1A1 847/4885

“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.