Sugi Predict

Sugi Predict / Compounds / SCHEMBL5800399

SCHEMBL5800399

SCHEMBL5800399

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDKN1A P38936 1/20 0.53
▸ PIM1 P11309 3/20 0.51
▸ MAPK13 O15264 2/20 0.51
▸ DAPK3 O43293 1/20 0.51
▸ AKT1 P31749 1/20 0.51
▸ MAPK9 P45984 1/20 0.51
▸ GSK3A P49840 1/20 0.51
▸ NEK2 P51955 1/20 0.51
▸ PIM3 Q86V86 1/20 0.51
▸ PLK3 Q9H4B4 1/20 0.51
▸ LIMK1 P53667 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MAPT P10636 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5800567 0.90 CDKN1A (0.55) CDKN1APIM1MAPK13AKT1GSK3A
SCHEMBL5812681 0.89 CDKN1A (0.55) CDKN1APIM1MAPK13DAPK3AKT1
SCHEMBL5812735 0.89 CDKN1A (0.55) CDKN1APIM1MAPK13DAPK3AKT1
SCHEMBL5798437 0.88 CDKN1A (0.54) CDKN1APIM1MAPK13DAPK3AKT1
SCHEMBL5812290 0.88 CDKN1A (0.54) CDKN1APIM1MAPK13DAPK3AKT1
SCHEMBL5795871 0.86 PIM1 (0.61) CDKN1APIM1MAPK13DAPK3AKT1
SCHEMBL5813951 0.83 CDKN1A (0.55) CDKN1APIM1MAPK13DAPK3AKT1
SCHEMBL5813181 0.82 CDKN1A (0.58) CDKN1APIM1MAPK13MAPK9GSK3A
SCHEMBL5814165 0.82 CDKN1A (0.56) CDKN1APIM1MAPK13DAPK3AKT1
SCHEMBL5810708 0.81 CDKN1A (0.52) CDKN1APIM1MAPK9LIMK1KDM4E

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 CDKN1A 28/4885PIM1 586/4885MAPK13 1171/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS CDKN1A 89/4885PIM1 797/4885MAPK13 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.