SCHEMBL4999565

SCHEMBL4999565

CCOc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc(Cl)c1OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.40
KMO O15229 1/20 0.33
SYK P43405 2/20 0.33
SHMT2 P34897 1/20 0.33
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
LRRK2 Q5S007 4/20 0.32
NMT1 P30419 2/20 0.31
MAPT P10636 2/20 0.31
THRB P10828 1/20 0.31
TRPV1 Q8NER1 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
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30
TUBB2A Q13885 1/20 0.30
TUBB8 Q3ZCM7 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
SCHEMBL4994837 0.92 CDC7 (0.43) CDC7PIM1PIM2LRRK2NMT1
SCHEMBL4996452 0.91 CDC7 (0.41) CDC7KMOSYKPIM1PIM2
SCHEMBL5002652 0.91 CDC7 (0.42) CDC7SYKPIM1PIM2LRRK2
SCHEMBL4991823 0.90 CDC7 (0.40) CDC7SYKSHMT2PIM1PIM2
SCHEMBL4997589 0.89 CDC7 (0.41) CDC7PIM1PIM2LRRK2MAPT
SCHEMBL4994133 0.88 CDC7 (0.40) CDC7PIM1PIM2LRRK2MAPT
SCHEMBL5002476 0.88 CDC7 (0.40) CDC7PIM1PIM2LRRK2MAPT
SCHEMBL5002369 0.87 CDC7 (0.42) CDC7SYKPIM1PIM2LRRK2
SCHEMBL5002596 0.86 SHMT2 (0.46) CDC7SYKSHMT2PIM1PIM2
SCHEMBL5000021 0.86 CDC7 (0.43) CDC7PIM1PIM2LRRK2MAPT

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 487/4885KMO 444/4885SYK 893/4885

“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.