SCHEMBL5002476

SCHEMBL5002476

CCOc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc(Cl)c1OCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.40
HTT P42858 3/20 0.32
LMNA P02545 1/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
LRRK2 Q5S007 3/20 0.32
IGF1R P08069 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 3/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
ALOX15 P16050 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 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
SCHEMBL4997589 0.94 CDC7 (0.41) CDC7HTTLMNAPIM1PIM2
SCHEMBL4994837 0.94 CDC7 (0.43) CDC7HTTLMNAPIM1PIM2
SCHEMBL4994133 0.93 CDC7 (0.40) CDC7HTTLMNAPIM1PIM2
SCHEMBL5002652 0.91 CDC7 (0.42) CDC7HTTLMNAPIM1PIM2
SCHEMBL4997444 0.89 L3MBTL1 (0.41) CDC7HTTLMNAPIM1PIM2
SCHEMBL5002369 0.89 CDC7 (0.42) CDC7PIM1PIM2LRRK2MEN1
SCHEMBL4999565 0.88 CDC7 (0.40) CDC7PIM1PIM2LRRK2MAPT
SCHEMBL5000021 0.88 CDC7 (0.43) CDC7PIM1PIM2LRRK2MEN1
SCHEMBL4994799 0.88 KDM4E (0.44) CDC7HTTPIM1PIM2MEN1
SCHEMBL5002516 0.87 CDC7 (0.41) CDC7PIM1PIM2LRRK2MEN1

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 487/4885HTT 3406/4885LMNA 4243/4885

“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.