SCHEMBL4994440

SCHEMBL4994440

O=C1NCCn2nc(-c3ccnc(-c4cc(F)c(F)cc4C(F)(F)F)n3)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.46
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
NTRK1 P04629 9/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 1/20 0.36
LRRK2 Q5S007 3/20 0.33
KCNH2 Q12809 2/20 0.32
MAPKAPK2 P49137 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MET P08581 1/20 0.31
AXL P30530 1/20 0.31
NTRK3 Q16288 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
SCHEMBL4997034 0.93 CDC7 (0.45) CDC7PIM1PIM2NTRK1CYP1A2
SCHEMBL5000036 0.90 CDC7 (0.46) CDC7PIM1PIM2NTRK1CYP1A2
SCHEMBL4997417 0.89 CDC7 (0.45) CDC7PIM1PIM2NTRK1CYP1A2
SCHEMBL5000402 0.89 CDC7 (0.45) CDC7PIM1PIM2NTRK1CYP1A2
SCHEMBL14188469 0.88 CDC7 (0.50) CDC7PIM1PIM2LRRK2MAPKAPK2
SCHEMBL14188673 0.87 CDC7 (0.45) CDC7PIM1PIM2CYP1A2CYP2C9
SCHEMBL4991148 0.87 CDC7 (0.45) CDC7PIM1PIM2NTRK1CYP1A2
SCHEMBL14188509 0.87 CDC7 (0.45) CDC7PIM1PIM2NTRK1CYP1A2
SCHEMBL14188459 0.86 CYP1A2 (0.51) CDC7PIM1PIM2CYP1A2CYP2C9
SCHEMBL4997446 0.86 CDC7 (0.44) CDC7PIM1PIM2NTRK1CYP1A2

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.