SCHEMBL5029919

SCHEMBL5029919

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 11/20 0.38
LMNA P02545 1/20 0.33
GUCY1B2 O75343 1/20 0.33
GUCY1A2 P33402 1/20 0.33
GUCY1A1 Q02108 1/20 0.33
GUCY1B1 Q02153 1/20 0.33
PDPK1 O15530 1/20 0.33
NTRK1 P04629 1/20 0.33
CHEK1 O14757 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CNR1 P21554 2/20 0.32
DGAT2 Q96PD7 1/20 0.32

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
SCHEMBL6427748 0.96 MAPK1 (0.34) MAPK1LMNAGUCY1B2GUCY1A2GUCY1A1
SCHEMBL6426733 0.92 LMNA (0.32) MAPK1LMNAGUCY1B2GUCY1A2GUCY1A1
SCHEMBL6427759 0.91 LMNA (0.35) MAPK1LMNAGUCY1B2GUCY1A2GUCY1A1
SCHEMBL5031136 0.91 LMNA (0.35) MAPK1LMNAGUCY1B2GUCY1A2GUCY1A1
SCHEMBL13927747 0.88 MAPK1 (0.38) MAPK1LMNANTRK1CHEK1
SCHEMBL5029993 0.87 MEN1 (0.36) MAPK1LMNAGUCY1B2GUCY1A2GUCY1A1
SCHEMBL5029960 0.85 MAPK1 (0.43) MAPK1
SCHEMBL6426817 0.84 MAPK1 (0.34) MAPK1LMNA
SCHEMBL4145298 0.83 CHEK1 (0.40) MAPK1NTRK1CHEK1
SCHEMBL4145302 0.83 CHEK1 (0.40) MAPK1NTRK1CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B MAPK1 6/4885LMNA 3498/4885GUCY1B2 3406/4885

“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.