SCHEMBL4997016

SCHEMBL4997016

CCCCOc1c(Cl)cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.40
LRRK2 Q5S007 4/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SYK P43405 1/20 0.33
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
MAPT P10636 1/20 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
SCHEMBL5002516 0.96 CDC7 (0.41) CDC7LRRK2MEN1KMT2ASYK
SCHEMBL4994133 0.93 CDC7 (0.40) CDC7LRRK2MEN1KMT2APIM1
SCHEMBL5002369 0.92 CDC7 (0.42) CDC7LRRK2MEN1KMT2ASYK
SCHEMBL5002688 0.90 CDC7 (0.45) CDC7LRRK2MEN1KMT2ASYK
SCHEMBL4997398 0.90 CDC7 (0.40) CDC7LRRK2MEN1KMT2APIM1
SCHEMBL4997589 0.89 CDC7 (0.41) CDC7LRRK2MEN1KMT2APIM1
SCHEMBL5002652 0.87 CDC7 (0.42) CDC7LRRK2MEN1KMT2ASYK
SCHEMBL4994509 0.87 CDC7 (0.43) CDC7LRRK2MEN1KMT2AMAPT
SCHEMBL4994837 0.87 CDC7 (0.43) CDC7LRRK2MEN1KMT2APIM1
SCHEMBL4993374 0.87 CDC7 (0.39) CDC7LRRK2MEN1KMT2AKMO

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 487/4885LRRK2 577/4885MEN1 2627/4885

“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.