SCHEMBL4995903

SCHEMBL4995903

CCCCCCCCOc1ccccc1-c1nccc(-c2cc3n(n2)CCNC3=O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.41
PDE5A O76074 9/20 0.40
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
TP53 P04637 3/20 0.38
MDM2 Q00987 3/20 0.38
CNR2 P34972 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GCGR P47871 1/20 0.35
MAPK14 Q16539 1/20 0.35
PTPN11 Q06124 1/20 0.35
TRPM2 O94759 1/20 0.35
PARP1 P09874 1/20 0.35

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
SCHEMBL4993352 0.96 CDC7 (0.42) CDC7PDE5APDE4APDE4BPDE4C
SCHEMBL5002436 0.93 CDC7 (0.43) CDC7PDE5APDE4APDE4BPDE4C
SCHEMBL4993164 0.89 CDC7 (0.45) CDC7PDE5APIM1PIM2TP53
SCHEMBL4999698 0.85 CYP1A2 (0.47) CDC7PIM1PIM2CYP1A2CYP19A1
SCHEMBL14188681 0.84 CDC7 (0.40) CDC7PDE5APIM1PIM2TP53
SCHEMBL14188645 0.84 CDC7 (0.43) CDC7PDE5APDE4APDE4BPDE4C
SCHEMBL14188646 0.84 CDC7 (0.45) CDC7PDE5APIM1PIM2CYP1A2
SCHEMBL4991436 0.83 CDC7 (0.45) CDC7PIM1PIM2CYP19A1
SCHEMBL14188518 0.83 CDC7 (0.45) CDC7PIM1PIM2CYP19A1
SCHEMBL14188636 0.83 CDC7 (0.42) CDC7PDE5APDE4APDE4BPDE4C

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 487/4885PDE5A 1009/4885PDE4A 876/4885

“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.