SCHEMBL5029960

SCHEMBL5029960

O=C(N[C@H](CO)c1ccccc1)c1ccc2[nH]nc(/C=C/c3ccc(F)cc3)c2c1OCCO

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 17/20 0.43
DCAF1 Q9Y4B6 1/20 0.39
IDH1 O75874 1/20 0.37

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
SCHEMBL6428642 0.92 DCAF1 (0.40) MAPK1DCAF1IDH1
SCHEMBL5030003 0.90 MAPK1 (0.41) MAPK1DCAF1
SCHEMBL6426273 0.90 MAPK1 (0.41) MAPK1DCAF1
SCHEMBL5030171 0.87 DCAF1 (0.40) MAPK1DCAF1
SCHEMBL5029919 0.85 MAPK1 (0.38) MAPK1
SCHEMBL13927708 0.84 MAPK1 (0.43) MAPK1IDH1
SCHEMBL5034325 0.84 MAPK1 (0.43) MAPK1IDH1
SCHEMBL13927747 0.83 MAPK1 (0.38) MAPK1
SCHEMBL4145298 0.83 CHEK1 (0.40) MAPK1
SCHEMBL4145302 0.83 CHEK1 (0.40) MAPK1

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
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B MAPK1 7/4885DCAF1 2900/4885IDH1 1539/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B MAPK1 6/4885DCAF1 2774/4885IDH1 1490/4885

“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.