SCHEMBL4994946

SCHEMBL4994946

O=C1NCCn2nc(-c3ccnc(-c4ccc(F)c(C(F)(F)F)c4)n3)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.47
KMO O15229 2/20 0.43
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
MPL P40238 2/20 0.35
MAPKAPK2 P49137 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
AR P10275 2/20 0.34
LRRK2 Q5S007 2/20 0.34
GSK3B P49841 1/20 0.34
MAPK14 Q16539 1/20 0.34
F2RL3 Q96RI0 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
GRM2 Q14416 1/20 0.33
PRKCB P05771 1/20 0.32
RPS6KB1 P23443 1/20 0.32
AKT1 P31749 1/20 0.32
RPS6KA1 Q15418 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
SCHEMBL5000300 0.92 CDC7 (0.47) CDC7KMOPIM1PIM2MAPKAPK2
SCHEMBL5002366 0.90 CDC7 (0.47) CDC7KMOPIM1PIM2MAPKAPK2
SCHEMBL4997439 0.89 CDC7 (0.46) CDC7KMOPIM1PIM2MAPKAPK2
SCHEMBL5002533 0.89 CDC7 (0.46) CDC7KMOPIM1PIM2MAPKAPK2
SCHEMBL4997506 0.89 CDC7 (0.46) CDC7KMOPIM1PIM2MAPKAPK2
SCHEMBL4994390 0.89 CDC7 (0.46) CDC7PIM1PIM2MAPKAPK2LRRK2
SCHEMBL4991035 0.88 CDC7 (0.52) CDC7KMOPIM1PIM2MAPKAPK2
SCHEMBL5000036 0.87 CDC7 (0.46) CDC7KMOPIM1PIM2MAPKAPK2
SCHEMBL14188697 0.87 CDC7 (0.48) CDC7KMOPIM1PIM2MAPKAPK2
SCHEMBL4995734 0.86 LRRK2 (0.45) CDC7PIM1PIM2LRRK2KCNH2

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 444/4885PIM1 539/4885

“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.