SCHEMBL4153231

SCHEMBL4153231

COc1c(C(=O)O)ccc2[nH]nc(C=Cc3ccc(C(C)=O)nc3)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.36
CHEK1 O14757 4/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
GSK3B P49841 1/20 0.32
KDR P35968 5/20 0.31
CCNA2 P20248 3/20 0.31
CDK2 P24941 3/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31

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
SCHEMBL4153221 1.00 P4HTM (0.36) P4HTMCHEK1HDAC3HDAC4HDAC1
SCHEMBL4136676 0.91 NPC1 (0.33) P4HTMCHEK1HDAC3HDAC4HDAC1
SCHEMBL4136670 0.91 NPC1 (0.33) P4HTMCHEK1HDAC3HDAC4HDAC1
SCHEMBL4146015 0.88 CHEK1 (0.44) CHEK1GSK3BTUBB4ATUBBTUBA3C
SCHEMBL4146022 0.88 CHEK1 (0.44) CHEK1GSK3BTUBB4ATUBBTUBA3C
SCHEMBL4150479 0.87 NFE2L2 (0.37) CHEK1KDRCCNA2CDK2TUBB4A
SCHEMBL4150485 0.87 NFE2L2 (0.37) CHEK1KDRCCNA2CDK2TUBB4A
SCHEMBL6425771 0.86 ABL1 (0.35) CHEK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL4151848 0.85 KDR (0.38) CHEK1HDAC6KDRCCNA2CDK2
SCHEMBL4151845 0.85 KDR (0.38) CHEK1HDAC6KDRCCNA2CDK2

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-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
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP 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 P4HTM 4323/4885CHEK1 952/4885HDAC3 138/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B P4HTM 4324/4885CHEK1 657/4885HDAC3 148/4885

“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.