SCHEMBL4993219

SCHEMBL4993219

COc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)ccc1OCC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.42
CFTR P13569 10/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
PIK3CA P42336 1/20 0.37
ATR Q13535 1/20 0.37
SNCA P37840 1/20 0.37

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
SCHEMBL4996618 0.93 CDC7 (0.41) CDC7KMT2AMEN1MAPTALDH1A1
SCHEMBL14188457 0.91 CDC7 (0.50) CDC7CFTR
SCHEMBL4994961 0.88 CDC7 (0.44) CDC7CFTRKMT2AMEN1GAA
SCHEMBL4995825 0.88 CDC7 (0.46) CDC7CFTRKMT2AMEN1MAPT
SCHEMBL4997449 0.87 ALDH1A1 (0.41) CDC7CFTRKMT2AMEN1GAA
SCHEMBL4993374 0.87 CDC7 (0.39) CDC7CFTRKMT2AMEN1GAA
SCHEMBL4997519 0.87 CDC7 (0.45) CDC7CFTRKMT2AMEN1ALDH1A1
SCHEMBL5000213 0.86 CDC7 (0.44) CDC7CFTRKMT2AMEN1
SCHEMBL5000178 0.86 CDC7 (0.46) CDC7KMT2AMEN1MAPT
SCHEMBL5000297 0.86 CFTR (0.39) CDC7CFTRKMT2AMEN1ALDH1A1

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 487/4885CFTR 4192/4885KMT2A 1490/4885

“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.