SCHEMBL13927747

SCHEMBL13927747

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 12/20 0.38
SCN9A Q15858 2/20 0.35
LMNA P02545 1/20 0.33
CAPN1 P07384 1/20 0.33
CTSB P07858 1/20 0.33
NTRK1 P04629 1/20 0.33
CHEK1 O14757 1/20 0.33
KCNA3 P22001 1/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 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
SCHEMBL6426817 0.96 MAPK1 (0.34) MAPK1SCN9ALMNACAPN1CTSB
SCHEMBL6428486 0.92 SCN9A (0.33) MAPK1SCN9ALMNACAPN1CTSB
SCHEMBL5034298 0.89 SCN9A (0.36) MAPK1SCN9ALMNACAPN1CTSB
SCHEMBL5029919 0.88 MAPK1 (0.38) MAPK1LMNANTRK1CHEK1
SCHEMBL5032386 0.86 LMNA (0.35) MAPK1SCN9ALMNACAPN1CTSB
SCHEMBL6427748 0.84 MAPK1 (0.34) MAPK1LMNANTRK1
SCHEMBL6426733 0.84 LMNA (0.32) MAPK1LMNACAPN1CTSBNTRK1
SCHEMBL5029960 0.83 MAPK1 (0.43) MAPK1
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-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

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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B MAPK1 7/4885SCN9A 2431/4885LMNA 3403/4885

“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.