SCHEMBL5002677

SCHEMBL5002677

O=C1NCCn2nc(-c3ccnc(-c4cccc(Cl)c4)c3)cc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.60
MAPKAPK2 P49137 5/20 0.53
PIM1 P11309 2/20 0.43
KDM5B Q9UGL1 1/20 0.41
PARP10 Q53GL7 1/20 0.40
PARP11 Q9NR21 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
FYN P06241 1/20 0.39
PARP1 P09874 1/20 0.38
BRAF P15056 1/20 0.38
KMO O15229 1/20 0.38
STK4 Q13043 1/20 0.38
STK3 Q13188 1/20 0.38
LRRK2 Q5S007 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EGLN2 Q96KS0 1/20 0.37
ALOX5 P09917 1/20 0.37

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
SCHEMBL5002448 0.86 CDC7 (0.60) CDC7MAPKAPK2PIM1KDM5BPARP10
SCHEMBL4713471 0.86 CDC7 (0.60) CDC7MAPKAPK2PIM1PIM2FYN
SCHEMBL4991846 0.86 CDC7 (0.60) CDC7MAPKAPK2PIM1PIM2FYN
SCHEMBL4997418 0.85 CDC7 (0.64) CDC7MAPKAPK2PIM1PIM2FYN
SCHEMBL14188402 0.85 CDC7 (0.61) CDC7MAPKAPK2PIM1PIM2KMO
SCHEMBL5000066 0.84 CDC7 (0.51) CDC7MAPKAPK2PIM1KDM5BPARP10
SCHEMBL4712699 0.83 CDC7 (0.56) CDC7MAPKAPK2PIM1PIM2FYN
SCHEMBL14188323 0.83 CDC7 (0.56) CDC7MAPKAPK2PIM1PIM2PARP1
SCHEMBL4994454 0.83 CDC7 (0.65) CDC7MAPKAPK2PIM1KDM5BPIM2
SCHEMBL4717392 0.83 CDC7 (0.68) CDC7MAPKAPK2PIM1PARP10PARP11

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 2/4885PIM1 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.