SCHEMBL5000091

SCHEMBL5000091

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.47
CDC7 O00311 1/20 0.44
RIPK3 Q9Y572 1/20 0.38
PLAT P00750 1/20 0.37
IDH1 O75874 1/20 0.36
LRRK2 Q5S007 4/20 0.36
GRIN2B Q13224 4/20 0.35
GRM2 Q14416 2/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
PDE2A O00408 1/20 0.35
FLT3 P36888 1/20 0.34
PLK1 P53350 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
SCHEMBL14188666 0.87 CDC7 (0.46) KMOCDC7PLATLRRK2PIM1
SCHEMBL4993091 0.87 CDC7 (0.44) KMOCDC7LRRK2PIM1PIM2
SCHEMBL14188538 0.85 CDC7 (0.48) CDC7PIM1PIM2
SCHEMBL4991509 0.85 CDC7 (0.52) KMOCDC7LRRK2PIM1PIM2
SCHEMBL14188530 0.84 CDC7 (0.49) KMOCDC7PLATLRRK2PIM1
SCHEMBL4997506 0.83 CDC7 (0.46) KMOCDC7PIM1PIM2
SCHEMBL14188370 0.83 CDC7 (0.50) KMOCDC7PLATLRRK2PIM1
SCHEMBL14188541 0.83 CDC7 (0.46) CDC7PIM1
SCHEMBL14188496 0.82 CDC7 (0.45) CDC7PLATPIM1PIM2FLT3
SCHEMBL5000603 0.82 CDC7 (0.40) CDC7RIPK3PIM1PIM2FLT3

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 KMO 444/4885CDC7 487/4885RIPK3 206/4885

“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.