SCHEMBL4714513

SCHEMBL4714513

O=C1NCCn2nc(-c3ccnc(-c4ccc(OC(F)(F)F)cc4)c3)cc21

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.58
MAT2A P31153 1/20 0.44
SCN9A Q15858 2/20 0.41
USP30 Q70CQ3 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.39
ABL1 P00519 6/20 0.39
MAPKAPK2 P49137 2/20 0.38
NISCH Q9Y2I1 1/20 0.38
KDM5A P29375 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
GCGR P47871 2/20 0.36
BCR P11274 1/20 0.36
HTR2C P28335 1/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL4715188 0.94 CDC7 (0.52) CDC7MAT2ASCN9AUSP30SCN10A
SCHEMBL4716573 0.94 CDC7 (0.50) CDC7MAT2ASCN9AUSP30SCN10A
SCHEMBL14188296 0.86 CDC7 (0.62) CDC7MAT2AABL1MAPKAPK2BCR
SCHEMBL14188538 0.84 CDC7 (0.48) CDC7SCN9ASCN10AABL1MAPKAPK2
Trifluoroacetic Acid SCHEMBL4790707 0.84 CDC7 (0.52) CDC7MAT2AABL1MAPKAPK2BCR
SCHEMBL4716033 0.82 CDC7 (0.66) CDC7MAPKAPK2PIM1PIM2
SCHEMBL14188405 0.82 CDC7 (0.66) CDC7MAPKAPK2PIM1PIM2
SCHEMBL14188432 0.81 CDC7 (0.61) CDC7MAPKAPK2KDM5AKDM4CKDM5B
Trifluoroacetic Acid SCHEMBL4997521 0.81 CDC7 (0.55) CDC7ABL1MAPKAPK2BCRPIM1
SCHEMBL4712547 0.80 CDC7 (0.47) CDC7MAT2ASCN9AUSP30MAPKAPK2

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 4 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
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
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 (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 487/4885MAT2A 791/4885SCN9A 2668/4885

“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.