SCHEMBL5002445

SCHEMBL5002445

Cc1ccc(C(F)(F)F)cc1-c1nccc(-c2cc3n(n2)CCNC3=O)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.44
PIM1 P11309 6/20 0.42
PIM2 Q9P1W9 1/20 0.42
JAK2 O60674 1/20 0.39
PARP1 P09874 3/20 0.38
PARP10 Q53GL7 1/20 0.38
GRIN1 Q05586 3/20 0.37
GRIN2B Q13224 3/20 0.37
NOTUM Q6P988 1/20 0.37
MAPKAPK2 P49137 2/20 0.36
RAF1 P04049 2/20 0.34
BRAF P15056 2/20 0.34
ABL1 P00519 1/20 0.34

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
SCHEMBL4999405 0.89 CDC7 (0.45) CDC7PIM1PIM2PARP1PARP10
SCHEMBL14188673 0.89 CDC7 (0.45) CDC7PIM1PIM2JAK2PARP1
SCHEMBL4996754 0.89 CDC7 (0.45) CDC7PIM1PIM2PARP1PARP10
SCHEMBL5002655 0.88 CDC7 (0.44) CDC7PIM1PIM2JAK2PARP1
SCHEMBL4996516 0.88 CDC7 (0.44) CDC7PIM1PIM2JAK2PARP1
SCHEMBL4993852 0.87 CDC7 (0.45) CDC7PIM1PIM2PARP1PARP10
SCHEMBL14188509 0.87 CDC7 (0.45) CDC7PIM1PIM2JAK2PARP1
SCHEMBL14188408 0.87 CDC7 (0.46) CDC7PIM1PIM2PARP1PARP10
SCHEMBL4986910 0.86 CDC7 (0.48) CDC7PIM1PIM2PARP1PARP10
SCHEMBL4999718 0.86 CDC7 (0.44) CDC7PIM1PIM2JAK2PARP1

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 487/4885PIM1 539/4885PIM2 309/4885

“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.