SCHEMBL4716573

SCHEMBL4716573

O=C1NCCCn2nc(-c3ccnc(-c4ccc(OC(F)(F)F)cc4)c3)cc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.50
MAT2A P31153 1/20 0.43
USP30 Q70CQ3 1/20 0.41
SCN9A Q15858 1/20 0.40
ABL1 P00519 6/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
MAPKAPK2 P49137 2/20 0.37
NISCH Q9Y2I1 1/20 0.36
LRRK2 Q5S007 1/20 0.36
ALPI P09923 1/20 0.36
KDM5A P29375 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
GCGR P47871 2/20 0.35
BCR P11274 1/20 0.35
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL4714513 0.94 CDC7 (0.58) CDC7MAT2AUSP30SCN9AABL1
Trifluoroacetic Acid SCHEMBL4715188 0.88 CDC7 (0.52) CDC7MAT2AUSP30SCN9AABL1
SCHEMBL4715783 0.86 CDC7 (0.53) CDC7MAPKAPK2LRRK2
SCHEMBL4712547 0.86 CDC7 (0.47) CDC7MAT2AUSP30SCN9AMAPKAPK2
SCHEMBL14188357 0.83 CDC7 (0.56) CDC7MAPKAPK2
Trifluoroacetic Acid SCHEMBL4712543 0.82 CDC7 (0.48) CDC7ABL1MAPKAPK2BCR
SCHEMBL4716236 0.80 CDC7 (0.53) CDC7ABL1MAPKAPK2BCR
SCHEMBL4716543 0.80 CDC7 (0.53) CDC7ABL1MAPKAPK2
SCHEMBL14188296 0.80 CDC7 (0.62) CDC7MAT2AABL1MAPKAPK2BCR
Trifluoroacetic Acid SCHEMBL4717244 0.79 CDC7 (0.45) CDC7ABL1MAPKAPK2KDM5AKDM4C

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 487/4885MAT2A 791/4885USP30 2422/4885
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MAPKAPK2, MAP3K2, MAP4K2 CDC7 331/4885MAT2A 708/4885USP30 2963/4885

“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.