SCHEMBL5000113

SCHEMBL5000113

COc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.46
FYN P06241 14/20 0.42
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
KDR P35968 1/20 0.39
CFTR P13569 1/20 0.38
CXCL12 P48061 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38

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
SCHEMBL4997114 0.92 CDC7 (0.46) CDC7FYNCFTRTUBB4ATUBB
SCHEMBL14188457 0.92 CDC7 (0.50) CDC7FYNCFTR
SCHEMBL14188572 0.90 CDC7 (0.45) CDC7
SCHEMBL4999916 0.89 CDC7 (0.47) CDC7CFTR
SCHEMBL14188574 0.88 CDC7 (0.46) CDC7CFTR
SCHEMBL4994961 0.87 CDC7 (0.44) CDC7FYNCFTR
SCHEMBL14188471 0.87 CDC7 (0.52) CDC7
SCHEMBL4995825 0.87 CDC7 (0.46) CDC7PDGFRBCFTR
SCHEMBL14188372 0.87 CDC7 (0.49) CDC7TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4997519 0.86 CDC7 (0.45) CDC7CFTR

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-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 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-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS MKNK2, MAPKAPK2, MAP3K2 CDC7 487/4885FYN 331/4885JAK2 261/4885

“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.