Sugi Predict

Sugi Predict / Compounds / SCHEMBL5795871

SCHEMBL5795871

SCHEMBL5795871

COc1ccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)cc1NC(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 4/20 0.61
▸ GSK3A P49840 3/20 0.61
▸ MAPK13 O15264 2/20 0.61
▸ AKT1 P31749 2/20 0.61
▸ PIM3 Q86V86 2/20 0.61
▸ DAPK3 O43293 1/20 0.61
▸ MAPK9 P45984 1/20 0.61
▸ NEK2 P51955 1/20 0.61
▸ PLK3 Q9H4B4 1/20 0.61
▸ LIMK1 P53667 1/20 0.59
▸ CDKN1A P38936 1/20 0.55
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ POLB P06746 2/20 0.52
▸ BRAF P15056 2/20 0.47
▸ KDM4E B2RXH2 5/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ APLNR P35414 1/20 0.44

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
SCHEMBL5800537 0.89 CDKN1A (0.57) PIM1GSK3AMAPK13AKT1PIM3
SCHEMBL5809416 0.88 CDKN1A (0.57) PIM1GSK3AMAPK13AKT1PIM3
SCHEMBL5798437 0.86 CDKN1A (0.54) PIM1GSK3AMAPK13AKT1PIM3
SCHEMBL5812290 0.86 CDKN1A (0.54) PIM1GSK3AMAPK13AKT1PIM3
SCHEMBL5800399 0.86 CDKN1A (0.53) PIM1GSK3AMAPK13AKT1PIM3
SCHEMBL5807557 0.83 CDKN1A (0.74) PIM1GSK3AMAPK13MAPK9LIMK1
SCHEMBL5814165 0.83 CDKN1A (0.56) PIM1GSK3AMAPK13AKT1PIM3
SCHEMBL5946594 0.83 CDKN1A (0.57) PIM1GSK3AMAPK13AKT1PIM3
SCHEMBL5808061 0.83 CDKN1A (0.66) PIM1GSK3AMAPK13AKT1PIM3
SCHEMBL5946410 0.82 CDKN1A (0.55) PIM1GSK3AMAPK13AKT1PIM3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006033795-A2 SUBSTITUTED PYRAZOLO [1, 5-A] PYRIMIDINES FOR INHIBITING ABNORMAL CELL GROWTH WYETH (US) 2006-03-30 — — WO claimed
WO-2006033796-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AND PROCESS FOR MAKING SAME WYETH (US) 2006-03-30 — — WO claimed
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines WYETH 2006-03-23 — — US 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 PIM1 586/4885GSK3A 3144/4885MAPK13 1171/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS PIM1 797/4885GSK3A 2702/4885MAPK13 1727/4885

“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.