SCHEMBL6426053

SCHEMBL6426053

COc1cc(/C=C/c2n[nH]c3ccc(C(=O)NCc4ncco4)c(OC)c23)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.36
MAPK1 P28482 2/20 0.36
TUBB1 Q9H4B7 2/20 0.34
ROCK2 O75116 3/20 0.34
ROCK1 Q13464 2/20 0.33
KDR P35968 4/20 0.33
CHEK1 O14757 3/20 0.33
CCNA2 P20248 3/20 0.33
CDK2 P24941 3/20 0.33
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
CCND3 P30281 2/20 0.33
KCNK3 O14649 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
CTDSP1 Q9GZU7 1/20 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
SCHEMBL6429431 0.94 TUBB1 (0.39) MAPK1TUBB1ROCK2ROCK1KDR
SCHEMBL6426068 0.94 MAPK1 (0.37) MAPK1ROCK2KCNK3ALDH1A1
SCHEMBL13927851 0.93 CHEK1 (0.39) MAPK1TUBB1KDRCHEK1CCNA2
SCHEMBL6427289 0.90 MAPK1 (0.42) MAPK1TUBB1KDRCHEK1CCNA2
SCHEMBL13927849 0.87 EGLN1 (0.36) MAPK1KDM4ELMNAHPGDTDP1
SCHEMBL6426399 0.87 ALDH1A1 (0.47) MAPK1KDM4EALDH1A1LMNAPOLB
SCHEMBL6426878 0.85 MAPK1 (0.40) MAPK1ROCK2ROCK1KDRKCNK3
SCHEMBL6427155 0.85 ALDH1A1 (0.48) ROCK2ROCK1CHEK1KDM4EALDH1A1
SCHEMBL4146748 0.85 HPGD (0.44) MAPK1KDM4EALDH1A1LMNAPOLB
SCHEMBL4146743 0.85 HPGD (0.44) MAPK1KDM4EALDH1A1LMNAPOLB

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 3 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-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 BACE1 2322/4885MAPK1 7/4885TUBB1 1495/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B BACE1 2832/4885MAPK1 6/4885TUBB1 1202/4885

“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.