Sugi Predict

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SCHEMBL4707014

SCHEMBL4707014

COc1ccc(N(C(=O)N[C@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](C)c2cnc(Cl)nc2Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.35
▸ CTSA P10619 2/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ SMN1; SMN2 Q16637 5/20 0.32
▸ HTT P42858 1/20 0.32
▸ MTNR1A P48039 3/20 0.32
▸ MTNR1B P49286 3/20 0.32
▸ TP53 P04637 3/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL4757107 1.00 MAPK14 (0.35) MAPK14CTSAMEN1KMT2AGAA
SCHEMBL4757853 1.00 MAPK14 (0.35) MAPK14CTSAMEN1KMT2AGAA
SCHEMBL4707017 1.00 MAPK14 (0.35) MAPK14CTSAMEN1KMT2AGAA
SCHEMBL4707388 1.00 MAPK14 (0.35) MAPK14CTSAMEN1KMT2AGAA
SCHEMBL5795287 0.85 SMN1; SMN2 (0.38) MAPK14MEN1KMT2AGAASMN1; SMN2
SCHEMBL6205153 0.83 SMN1; SMN2 (0.35) MAPK14KMT2AGAASMN1; SMN2MTNR1A
SCHEMBL4706018 0.80 GAA (0.43) MEN1KMT2AGAATP53LMNA
SCHEMBL4706016 0.80 GAA (0.43) MEN1KMT2AGAATP53LMNA
SCHEMBL5831107 0.77 PTK2 (0.42) MTNR1AMTNR1BMAPT
SCHEMBL4707389 0.73 MAPK14 (0.35) MAPK14CTSAMEN1KMT2AGAA

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
EP-1560832-B1 PYRIMIDO 4,5-D PYRIMIDINE DERIVATIVES WITH ANTICANCER ACTIVITY HOFFMANN LA ROCHE (CH) 2008-01-23 — — EP claimed
US-7112676-B2 Pyrimido compounds having antiproliferative activity HOFFMANN-LA ROCHE INC. (US) 2006-09-26 — — US claimed
US-20050075272-A1 Pyrimido compounds having antiproliferative activity DERMATAKIS APOSTOLOS (US) 2005-04-07 — — US claimed
EP-1560832-B1 PYRIMIDO 4,5-D PYRIMIDINE DERIVATIVES WITH ANTICANCER ACTIVITY HOFFMANN LA ROCHE (CH) 2008-01-23 — — EP disclosed
US-7112676-B2 Pyrimido compounds having antiproliferative activity HOFFMANN-LA ROCHE INC. (US) 2006-09-26 — — US disclosed
EP-1560832-A1 PYRIMIDO 4,5-D PYRIMIDINE DERIVATIVES WITH ANTICANCER ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-08-10 — — EP disclosed
US-20050075272-A1 Pyrimido compounds having antiproliferative activity DERMATAKIS APOSTOLOS (US) 2005-04-07 — — US disclosed
WO-2004041822-A1 PYRIMIDO[4,5-D]PYRIMIDINE DERIVATIVES WITH ANTICANCER ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 — — WO 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 (1 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-20050075272-A1 Pyrimido compounds having antiproliferative activity LCK, FGFR1, FYN MAPK14 822/4885CTSA 3265/4885MEN1 4235/4885

“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.