SCHEMBL4994849

SCHEMBL4994849

CC(=O)Nc1ccccc1-c1nccc(-c2cc3n(n2)CCNC3=O)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.44
PIM1 P11309 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
ALDH1A1 P00352 3/20 0.41
ABCG2 Q9UNQ0 2/20 0.40
IDH1 O75874 1/20 0.39
PARP14 Q460N5 1/20 0.38
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 1/20 0.37
MAP4K1 Q92918 1/20 0.36
RPS6KA2 Q15349 4/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
RPS6KA3 P51812 3/20 0.35
LRRK2 Q5S007 1/20 0.35
ATR Q13535 1/20 0.35
ATRIP Q8WXE1 1/20 0.35
TOP2A P11388 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
SCHEMBL5000074 0.84 ALDH1A1 (0.49) ALDH1A1HSD17B10MAPTKDM4EGAA
SCHEMBL4993289 0.83 CDC7 (0.43) CDC7PIM1PIM2MAP4K1RPS6KA2
SCHEMBL4994308 0.83 CDC7 (0.49) CDC7PIM1PIM2ALDH1A1HSD17B10
SCHEMBL4997121 0.83 CDC7 (0.49) CDC7PIM1PIM2ALDH1A1HPGD
SCHEMBL5002141 0.83 ALDH1A1 (0.52) ALDH1A1HSD17B10MAPTGAA
SCHEMBL4994749 0.82 CDC7 (0.46) CDC7PIM1PIM2RPS6KA2RPS6KA3
SCHEMBL5002453 0.82 CDC7 (0.42) CDC7PIM1PIM2RPS6KA2KDM4E
SCHEMBL5002412 0.82 MEN1 (0.58) CDC7PIM1PIM2ALDH1A1HPGD
SCHEMBL4991863 0.82 CDC7 (0.46) CDC7PIM1PIM2RPS6KA2RPS6KA3
SCHEMBL4994575 0.82 CDC7 (0.44) CDC7PIM1PIM2RPS6KA2KDM4E

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 487/4885PIM1 539/4885PIM2 309/4885

“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.