SCHEMBL4997418

SCHEMBL4997418

O=C1NCCn2nc(-c3ccnc(-c4cccnc4)c3)cc21

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.64
MAPKAPK2 P49137 3/20 0.50
CYP2A6 P11509 2/20 0.47
USP30 Q70CQ3 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.41
PIM1 P11309 7/20 0.40
PIM2 Q9P1W9 3/20 0.40
FYN P06241 1/20 0.39
PKN2 Q16513 1/20 0.39
USP8 P40818 1/20 0.39
PRKDC P78527 1/20 0.38
FHIT P49789 1/20 0.38
PIM3 Q86V86 2/20 0.38

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
SCHEMBL5002478 0.89 CDC7 (0.66) CDC7MAPKAPK2CYP2A6USP30PIM1
SCHEMBL5002448 0.85 CDC7 (0.60) CDC7MAPKAPK2PIM1PIM2FYN
SCHEMBL4991846 0.85 CDC7 (0.60) CDC7MAPKAPK2PIM1PIM2FYN
SCHEMBL5002677 0.85 CDC7 (0.60) CDC7MAPKAPK2PIM1PIM2FYN
SCHEMBL4713471 0.85 CDC7 (0.60) CDC7MAPKAPK2PIM1PIM2FYN
SCHEMBL5000428 0.84 CDC7 (0.62) CDC7MAPKAPK2PIM1PIM2
SCHEMBL4994454 0.84 CDC7 (0.65) CDC7MAPKAPK2PIM1PIM2
SCHEMBL4996023 0.82 CDC7 (0.57) CDC7MAPKAPK2PIM1PIM2FYN
SCHEMBL4716033 0.82 CDC7 (0.66) CDC7MAPKAPK2PIM1PIM2
SCHEMBL14188405 0.82 CDC7 (0.66) CDC7MAPKAPK2PIM1PIM2

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 487/4885MAPKAPK2 2/4885CYP2A6 3120/4885

“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.