Sugi Predict

Sugi Predict / Compounds / SCHEMBL5807901

SCHEMBL5807901

SCHEMBL5807901

CC(C)NC(=S)Nc1ccc(Cl)c(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDKN1A P38936 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ BRAF P15056 6/20 0.40
▸ EPHA2 P29317 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ MAPT P10636 4/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ TP53 P04637 1/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ MAPK13 O15264 2/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ LIMK1 P53667 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
SCHEMBL5797736 0.86 CDKN1A (0.53) CDKN1AALDH1A1BRAFEPHA2GSK3A
SCHEMBL5798411 0.86 CDKN1A (0.53) CDKN1AALDH1A1BRAFEPHA2GSK3A
SCHEMBL5800523 0.86 CDKN1A (0.70) CDKN1ABRAFEPHA2GSK3ANPC1
SCHEMBL5800283 0.84 CDKN1A (0.55) CDKN1AALDH1A1BRAFEPHA2GSK3A
SCHEMBL5812241 0.79 CDKN1A (0.52) CDKN1AALDH1A1BRAFEPHA2GSK3A
SCHEMBL5811516 0.78 CDKN1A (0.77) CDKN1ABRAFEPHA2GSK3AMAPK13
SCHEMBL5821478 0.78 CDKN1A (0.72) CDKN1ABRAFEPHA2GSK3AMAPK13
SCHEMBL5797341 0.76 CDKN1A (0.49) CDKN1AALDH1A1MAPTMEN1KMT2A
SCHEMBL5946404 0.76 CDKN1A (0.70) CDKN1ABRAFEPHA2GSK3AMAPK13
SCHEMBL5812738 0.76 CDKN1A (0.74) CDKN1ABRAFEPHA2GSK3AMAPK13

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 28/4885ALDH1A1 848/4885LMNA 3926/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS CDKN1A 89/4885ALDH1A1 847/4885LMNA 3307/4885

“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.