Sugi Predict

Sugi Predict / Compounds / SCHEMBL6426331

SCHEMBL6426331

SCHEMBL6426331

CC(C)[C@@H](CO)NC(=O)c1cc(F)c2[nH]nc(/C=C/c3cccnc3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 1/20 0.38
▸ PAK4 O96013 1/20 0.38
▸ CHEK1 O14757 2/20 0.35
▸ NAMPT P43490 2/20 0.35
▸ ALOX5 P09917 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ TGFBR1 P36897 2/20 0.33
▸ ACVR1B P36896 1/20 0.33
▸ DGAT2 Q96PD7 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ FNTA P49354 1/20 0.33
▸ FNTB P49356 1/20 0.33
▸ HDAC3 O15379 3/20 0.33
▸ HDAC1 Q13547 3/20 0.33
▸ HDAC2 Q92769 3/20 0.33

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
SCHEMBL13927670 0.86 NTSR1 (0.39) NTSR1CHEK1NAMPTALOX5KDR
SCHEMBL5031210 0.85 DHPS (0.47) PAK4
SCHEMBL4142185 0.80 NTSR1 (0.47) NTSR1CHEK1KDRGAA
SCHEMBL4142181 0.80 NTSR1 (0.47) NTSR1CHEK1KDRGAA
SCHEMBL4154114 0.79 NAMPT (0.44) NTSR1NAMPTKDRHDAC8
SCHEMBL4154109 0.79 NAMPT (0.44) NTSR1NAMPTKDRHDAC8
SCHEMBL5027567 0.77 HPGD (0.42) POLBLMNA
SCHEMBL4335964 0.73 TRPV3 (0.42) PAK4DGAT2
SCHEMBL4343384 0.72 MAPK1 (0.39) PAK4DGAT2CHRM1
SCHEMBL14074901 0.72 TRPV3 (0.45) CHEK1KDRCHRM1

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 5 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-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 NTSR1 2075/4885PAK4 1571/4885CHEK1 952/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B NTSR1 2122/4885PAK4 1561/4885CHEK1 657/4885

“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.