SCHEMBL4994837

SCHEMBL4994837

CCOc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc(Cl)c1OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.43
IGF1R P08069 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
LRRK2 Q5S007 5/20 0.34
MAPT P10636 2/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32

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 0.95 CDC7 (0.41) CDC7IGF1RLMNAHTTPIM1
SCHEMBL5002652 0.95 CDC7 (0.42) CDC7LMNAHTTPIM1PIM2
SCHEMBL5002369 0.95 CDC7 (0.42) CDC7PIM1PIM2LRRK2MAPT
SCHEMBL5002476 0.94 CDC7 (0.40) CDC7IGF1RLMNAHTTPIM1
SCHEMBL4994133 0.94 CDC7 (0.40) CDC7IGF1RLMNAHTTPIM1
SCHEMBL4999565 0.92 CDC7 (0.40) CDC7PIM1PIM2LRRK2MAPT
SCHEMBL4994799 0.92 KDM4E (0.44) CDC7HTTPIM1PIM2MAPT
SCHEMBL4997444 0.92 L3MBTL1 (0.41) CDC7LMNAHTTPIM1PIM2
SCHEMBL5002300 0.91 CDC7 (0.38) CDC7LMNAPIM1PIM2MAPT
SCHEMBL4997244 0.90 CDC7 (0.37) CDC7LMNAHTTMAPTMEN1

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 487/4885IGF1R 2617/4885LMNA 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.