SCHEMBL4997589

SCHEMBL4997589

CCCOc1c(Cl)cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc1OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.41
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 2/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
LRRK2 Q5S007 3/20 0.32
IGF1R P08069 1/20 0.32
GCGR P47871 2/20 0.32
GIPR P48546 2/20 0.32
FPR2 P25090 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MDM2 Q00987 1/20 0.31
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30

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
SCHEMBL4994133 0.96 CDC7 (0.40) CDC7MAPTNPSR1KMT2AHTT
SCHEMBL4994837 0.95 CDC7 (0.43) CDC7MAPTKMT2AHTTMEN1
SCHEMBL5002476 0.94 CDC7 (0.40) CDC7MAPTNPSR1KMT2AHTT
SCHEMBL5002516 0.93 CDC7 (0.41) CDC7MAPTKMT2AMEN1PIM1
SCHEMBL5002652 0.91 CDC7 (0.42) CDC7MAPTNPSR1KMT2AHTT
SCHEMBL4996355 0.90 CDC7 (0.41) CDC7KMT2AMEN1ALDH1A1PIM1
SCHEMBL5002369 0.90 CDC7 (0.42) CDC7MAPTKMT2AMEN1ALDH1A1
SCHEMBL4997016 0.89 CDC7 (0.40) CDC7MAPTKMT2AMEN1PIM1
SCHEMBL4999565 0.89 CDC7 (0.40) CDC7MAPTPIM1PIM2LRRK2
SCHEMBL4997444 0.88 L3MBTL1 (0.41) CDC7MAPTHTTALDH1A1PIM1

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 487/4885MAPT 1363/4885NPSR1 3408/4885

“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.