SCHEMBL5831107

SCHEMBL5831107

COc1ccc(N(Cc2cnc(Cl)nc2Cl)C(=O)N[C@@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.42
TSPO P30536 5/20 0.34
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
C5AR1 P21730 1/20 0.32
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
SCHEMBL5795287 0.89 SMN1; SMN2 (0.38) MTNR1AMTNR1BMAPT
SCHEMBL6205153 0.83 SMN1; SMN2 (0.35) MTNR1AMTNR1BMAPT
SCHEMBL4707388 0.77 MAPK14 (0.35) MTNR1AMTNR1BMAPT
SCHEMBL4757107 0.77 MAPK14 (0.35) MTNR1AMTNR1BMAPT
SCHEMBL4707014 0.77 MAPK14 (0.35) MTNR1AMTNR1BMAPT
SCHEMBL4757853 0.77 MAPK14 (0.35) MTNR1AMTNR1BMAPT
SCHEMBL4707017 0.77 MAPK14 (0.35) MTNR1AMTNR1BMAPT
SCHEMBL5831113 0.76 PTK2 (0.44) PTK2TSPOMAPT
SCHEMBL6207773 0.72 EPHX2 (0.37) MAPT
SCHEMBL5831934 0.69 PDK1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115740-B2 Pyrimido compounds having antiproliferative activity HOFFMANN-LA ROCHE INC. (US) 2006-10-03 US disclosed
US-20040204427-A1 Pyrimido compounds having antiproliferative activity CHEN YI (US) 2004-10-14 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 (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-20040204427-A1 Pyrimido compounds having antiproliferative activity FGFR3, FGFR1, FGFR4 PTK2 102/4885TSPO 4075/4885MTNR1A 2435/4885

“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.