SCHEMBL5002463

SCHEMBL5002463

CCCCCCOc1ccc(-c2ccc(-c3nccc(-c4cc5n(n4)CCNC5=O)n3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.44
RARB P10826 3/20 0.40
MAPT P10636 6/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 4/20 0.39
XDH P47989 1/20 0.39
PTPN1 P18031 1/20 0.38
KDM4E B2RXH2 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 2/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
SMPD1 P17405 1/20 0.36
LTA4H P09960 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
SCHEMBL4993189 1.00 CDC7 (0.44) CDC7RARBMAPTMEN1KMT2A
SCHEMBL4987045 1.00 CDC7 (0.44) CDC7RARBMAPTMEN1KMT2A
SCHEMBL4991436 0.99 CDC7 (0.45) CDC7RARBMAPTMEN1KMT2A
SCHEMBL4993100 0.99 CDC7 (0.45) CDC7RARBMAPTMEN1KMT2A
SCHEMBL14188518 0.99 CDC7 (0.45) CDC7RARBMAPTMEN1KMT2A
SCHEMBL5000192 0.99 CDC7 (0.45) CDC7RARBMAPTMEN1KMT2A
SCHEMBL14188483 0.98 CDC7 (0.46) CDC7RARBMAPTMEN1KMT2A
SCHEMBL4991487 0.96 CDC7 (0.47) CDC7MAPTMEN1KMT2AALDH1A1
SCHEMBL4996489 0.92 CDC7 (0.47) CDC7MAPTMEN1KMT2AALDH1A1
SCHEMBL4997289 0.88 CDC7 (0.49) CDC7MAPTMEN1KMT2AALDH1A1

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 487/4885RARB 4325/4885MAPT 1363/4885

“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.