SCHEMBL4986910

SCHEMBL4986910

Cc1ccc(C)c(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.48
PIM1 P11309 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
LMNA P02545 1/20 0.38
GRM5 P41594 1/20 0.36
PARP10 Q53GL7 2/20 0.36
PARP1 P09874 2/20 0.36
PARP11 Q9NR21 1/20 0.33
RPS6KA3 P51812 1/20 0.33
ESRRA P11474 1/20 0.33
RPS6KA2 Q15349 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
AR P10275 1/20 0.32
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL4997342 0.91 CDC7 (0.48) CDC7PIM1PIM2LMNAGRM5
SCHEMBL14188708 0.90 CDC7 (0.51) CDC7PIM1PIM2LMNAGRM5
SCHEMBL14188408 0.89 CDC7 (0.46) CDC7PIM1PIM2PARP10PARP1
SCHEMBL14188490 0.89 CDC7 (0.46) CDC7PIM1PIM2
SCHEMBL14188420 0.89 CDC7 (0.46) CDC7PIM1PIM2PARP10PARP1
SCHEMBL14188566 0.89 CDC7 (0.46) CDC7PIM1PIM2LMNAGRM5
SCHEMBL14188535 0.89 CDC7 (0.46) CDC7PIM1PIM2LMNAGRM5
SCHEMBL14188707 0.88 CDC7 (0.47) CDC7PIM1PIM2LMNAGRM5
SCHEMBL4994308 0.88 CDC7 (0.49) CDC7PIM1PIM2GRM5PARP10
SCHEMBL4996539 0.87 CDC7 (0.45) CDC7PIM1PIM2GRM5PARP10

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.