SCHEMBL4712699

SCHEMBL4712699

COc1cccc(-c2cc(-c3cc4n(n3)CCNC4=O)ccn2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.56
MAPKAPK2 P49137 2/20 0.48
TGFBR1 P36897 1/20 0.45
FYN P06241 3/20 0.42
WNK1 Q9H4A3 1/20 0.42
PDE4D Q08499 1/20 0.41
BRAF P15056 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
EGLN2 Q96KS0 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDE4B Q07343 1/20 0.40
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
DYRK1A Q13627 1/20 0.39

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
SCHEMBL14188296 0.89 CDC7 (0.62) CDC7MAPKAPK2TGFBR1PDE4DABL1
SCHEMBL4996023 0.87 CDC7 (0.57) CDC7MAPKAPK2TGFBR1FYNPIM1
SCHEMBL4713518 0.86 CDC7 (0.51) CDC7MAPKAPK2FYNPDE4DEGLN2
SCHEMBL4993909 0.85 CDC7 (0.48) CDC7MAPTTDP1PDE4BPIM1
SCHEMBL14188299 0.85 CDC7 (0.49) CDC7TGFBR1PIM1PIM2ADORA1
SCHEMBL4717236 0.85 CDC7 (0.51) CDC7
SCHEMBL4991846 0.83 CDC7 (0.60) CDC7MAPKAPK2FYNPIM1PIM2
SCHEMBL5002448 0.83 CDC7 (0.60) CDC7MAPKAPK2FYNABL1BCR
SCHEMBL5002677 0.83 CDC7 (0.60) CDC7MAPKAPK2FYNBRAFEGLN2
SCHEMBL4713471 0.83 CDC7 (0.60) CDC7MAPKAPK2FYNPIM1PIM2

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 7 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
EP-1572682-A4 ACYCLIC PYRAZOLE COMPOUNDS PHARMACIA CORP (US) 2008-01-23 EP disclosed
EP-1572682-A2 ACYCLIC PYRAZOLE COMPOUNDS Pharmacia Corporation (US) 2005-09-14 EP disclosed
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-08-05 US disclosed
WO-2004058176-A2 ACYCLIC PYRAZOLE COMPOUNDS PHARMACIA CORPORATION (US) 2004-07-15 WO 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 (2 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 2/4885TGFBR1 3991/4885
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MAPKAPK2, MAP3K2, MAP4K2 CDC7 331/4885MAPKAPK2 1/4885TGFBR1 4461/4885

“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.