SCHEMBL4997294

SCHEMBL4997294

O=C1NCCn2nc(-c3ccnc(-c4c(F)cccc4C(F)(F)F)n3)cc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.44
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
TYK2 P29597 4/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
TRPA1 O75762 1/20 0.34
HTR2C P28335 4/20 0.33
HTR2B P41595 4/20 0.33
HTR2A P28223 3/20 0.33
JAK2 O60674 2/20 0.33
MAPK14 Q16539 1/20 0.32
NCF1 P14598 1/20 0.32
PARP1 P09874 1/20 0.32
MAPKAPK2 P49137 2/20 0.31
GPR52 Q9Y2T5 1/20 0.31

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
SCHEMBL14188551 0.94 CDC7 (0.47) CDC7PIM1PIM2CYP1A2CYP2C9
SCHEMBL4997028 0.91 CDC7 (0.50) CDC7PIM1PIM2TYK2JAK2
SCHEMBL4994691 0.89 CDC7 (0.43) CDC7PIM1PIM2CYP1A2CYP2C9
SCHEMBL5000513 0.87 CDC7 (0.41) CDC7PIM1PIM2TYK2JAK2
SCHEMBL5000048 0.86 CDC7 (0.44) CDC7PIM1PIM2CYP1A2CYP2C9
SCHEMBL14188354 0.86 CDC7 (0.46) CDC7PIM1PIM2TYK2CYP1A2
SCHEMBL14188385 0.86 CDC7 (0.46) CDC7PIM1PIM2TYK2JAK2
SCHEMBL14188696 0.86 CDC7 (0.46) CDC7PIM1PIM2TYK2JAK2
SCHEMBL14188459 0.85 CYP1A2 (0.51) CDC7PIM1PIM2CYP1A2CYP2C9
SCHEMBL4996499 0.84 CDC7 (0.44) CDC7PIM1PIM2TYK2CYP1A2

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.