SCHEMBL4993091

SCHEMBL4993091

Nc1ccc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc1OC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 5/20 0.44
CREBBP Q92793 1/20 0.37
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
LRRK2 Q5S007 2/20 0.34
PLK1 P53350 2/20 0.33
MAPKAPK2 P49137 3/20 0.33
FLT3 P36888 1/20 0.33
KMO O15229 1/20 0.32
CYP3A4 P08684 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
XDH P47989 1/20 0.32
MAP3K11 Q16584 1/20 0.32
JAK2 O60674 1/20 0.32
CCNT1 O60563 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CDK9 P50750 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
SCHEMBL5000091 0.87 KMO (0.47) CDC7PIM1PIM2LRRK2PLK1
SCHEMBL4997439 0.85 CDC7 (0.46) CDC7PIM1PIM2LRRK2MAPKAPK2
SCHEMBL14188538 0.85 CDC7 (0.48) CDC7PIM1PIM2MAPKAPK2CCNT1
SCHEMBL14188498 0.84 CDC7 (0.49) CDC7PIM1PIM2LRRK2MAPKAPK2
SCHEMBL5000603 0.84 CDC7 (0.40) CDC7PIM1PIM2PLK1FLT3
SCHEMBL14188541 0.83 CDC7 (0.46) CDC7PIM1XDH
SCHEMBL14188496 0.82 CDC7 (0.45) CDC7PIM1PIM2PLK1MAPKAPK2
SCHEMBL14188617 0.82 CDC7 (0.49) CDC7PIM1PIM2MAPKAPK2
SCHEMBL14188642 0.82 CDC7 (0.49) CDC7PIM1PIM2MAPKAPK2CYP3A4
SCHEMBL14188545 0.82 CDC7 (0.49) CDC7PIM1PIM2LRRK2MAPKAPK2

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 487/4885CREBBP 730/4885PIM1 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.