SCHEMBL4999916

SCHEMBL4999916

COc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.47
KMO O15229 1/20 0.43
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
S1PR1 P21453 8/20 0.40
S1PR3 Q99500 1/20 0.40
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
CFTR P13569 3/20 0.37
LRRK2 Q5S007 3/20 0.36
TDP2 O95551 1/20 0.35
TGFBR1 P36897 1/20 0.35
ACVR1 Q04771 1/20 0.35

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
SCHEMBL14188457 0.93 CDC7 (0.50) CDC7PIM1PIM2CFTRLRRK2
SCHEMBL14188574 0.89 CDC7 (0.46) CDC7PIM1PIM2CFTRLRRK2
SCHEMBL5000113 0.89 CDC7 (0.46) CDC7CFTR
SCHEMBL4997471 0.88 CDC7 (0.52) CDC7KMOPIM1PIM2
SCHEMBL4995825 0.88 CDC7 (0.46) CDC7S1PR1S1PR3CFTRLRRK2
SCHEMBL14188372 0.88 CDC7 (0.49) CDC7PIM1PIM2LRRK2
SCHEMBL5002532 0.87 CDC7 (0.45) CDC7CFTRLRRK2TDP2
SCHEMBL4997519 0.87 CDC7 (0.45) CDC7S1PR1S1PR3CFTRLRRK2
SCHEMBL4997114 0.87 CDC7 (0.46) CDC7PIM1PIM2CFTRLRRK2
SCHEMBL4997421 0.87 CDC7 (0.46) CDC7PIM1PIM2CFTRLRRK2

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 487/4885KMO 444/4885KDM5A 2279/4885

“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.