SCHEMBL4494912

SCHEMBL4494912

COc1ccc(CNc2ncc(C(N)=O)c3sc(C4=CCCC4)cc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 12/20 0.51
AURKA O14965 4/20 0.47
RPS6KB1 P23443 4/20 0.47
JAK3 P52333 1/20 0.41
KCNH2 Q12809 1/20 0.41
CD38 P28907 1/20 0.41
VNN1 O95497 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ASPH Q12797 1/20 0.40
RIOX2 Q8IUF8 1/20 0.40
KDM8 Q8N371 1/20 0.40

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
SCHEMBL4503764 0.82 NPC1 (0.40) AURKARPS6KB1VNN1
SCHEMBL4494921 0.79 AURKA (0.47) CHEK1AURKARPS6KB1JAK3CD38
SCHEMBL14543450 0.78 CHEK1 (0.45) CHEK1KCNH2
SCHEMBL4500977 0.74 JAK2 (0.54) CHEK1JAK3KCNH2
SCHEMBL11888530 0.71 AURKA (0.47) CHEK1AURKARPS6KB1JAK3CD38
SCHEMBL13503459 0.69 CSF1R (0.48) CHEK1AURKARPS6KB1JAK3CD38
SCHEMBL24566411 0.69 AURKA (0.55) AURKARPS6KB1JAK3CD38VNN1
SCHEMBL3255746 0.69 AURKA (0.55) AURKARPS6KB1JAK3CD38VNN1
SCHEMBL5453158 0.67 JAK2 (0.62) CHEK1JAK3
SCHEMBL22261277 0.67 JAK3 (0.59) AURKARPS6KB1JAK3CD38VNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635695-B2 Antiinflammation agents AMGEN INC. (US) 2009-12-22 US disclosed
US-7635695-B2 Antiinflammation agents AMGEN INC. (US) 2009-12-22 US disclosed
US-20070155777-A1 Antiinflammation agents AMGEN, INC. 2007-07-05 US disclosed
US-20070155777-A1 Antiinflammation agents AMGEN, INC. 2007-07-05 US disclosed
US-7199119-B2 Antiinflammation agents AMGEN INC. (US) 2007-04-03 US disclosed
US-7199119-B2 Antiinflammation agents AMGEN INC. (US) 2007-04-03 US disclosed
US-20040097485-A1 Antiinflammation agents TULARIK INC. 2004-05-20 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-20070155777-A1 Antiinflammation agents TNF, NFATC1, NFKBIA CHEK1 3814/4885AURKA 4188/4885RPS6KB1 221/4885
US-20040097485-A1 Antiinflammation agents TNF, NFATC1, NFKBIA CHEK1 3814/4885AURKA 4188/4885RPS6KB1 221/4885

“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.