SCHEMBL4997519

SCHEMBL4997519

CCOc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)ccc1OC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HIF1A Q16665 1/20 0.41
FPR2 P25090 3/20 0.41
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
CFTR P13569 5/20 0.39
TRPV1 Q8NER1 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
LRRK2 Q5S007 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL4995825 0.97 CDC7 (0.46) CDC7SMN1; SMN2HPGDALDH1A1HIF1A
SCHEMBL5002321 0.95 CDC7 (0.47) CDC7SMN1; SMN2HPGDALDH1A1S1PR1
SCHEMBL14188457 0.94 CDC7 (0.50) CDC7CFTRLRRK2
SCHEMBL14188643 0.91 CDC7 (0.43) CDC7SMN1; SMN2HPGDALDH1A1FPR2
SCHEMBL14188605 0.90 CDC7 (0.43) CDC7SMN1; SMN2HPGDALDH1A1FPR2
SCHEMBL5002596 0.90 SHMT2 (0.46) CDC7HPGDALDH1A1S1PR1S1PR3
SCHEMBL4994432 0.90 CDC7 (0.43) CDC7HPGDALDH1A1FPR2KDM4E
SCHEMBL5000213 0.90 CDC7 (0.44) CDC7HPGDFPR2CFTRMEN1
SCHEMBL14188684 0.89 CDC7 (0.46) CDC7HPGDALDH1A1S1PR1S1PR3
SCHEMBL4996618 0.89 CDC7 (0.41) CDC7SMN1; SMN2ALDH1A1HTTS1PR1

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 487/4885SMN1; SMN2 3576/4885HPGD 664/4885

“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.