SCHEMBL4990948

SCHEMBL4990948

COc1ccc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)c(C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
CDC7 O00311 1/20 0.42
RPS6KA2 Q15349 2/20 0.40
POLB P06746 3/20 0.40
KDM4E B2RXH2 5/20 0.38
KDM4C Q9H3R0 3/20 0.37
PARP1 P09874 1/20 0.37
KDM5A P29375 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
LMNA P02545 1/20 0.37
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.35
HPGDS O60760 1/20 0.35
EGFR P00533 1/20 0.34
SLC16A3 O15427 1/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL4991121 0.86 CDC7 (0.45) CDC7RPS6KA2KDM4CPARP1KDM5A
SCHEMBL14188348 0.86 CDC7 (0.45) CDC7RPS6KA2KDM4EPARP1PIM1
SCHEMBL4996165 0.85 CDC7 (0.44) CDC7KDM4CKDM5AKDM5BPIM1
SCHEMBL4994460 0.85 CDC7 (0.44) SMN1; SMN2CDC7RPS6KA2KDM4EPARP1
SCHEMBL14188489 0.85 CDC7 (0.44) CDC7RPS6KA2PARP1LMNAPIM1
SCHEMBL4991821 0.84 CYP11B1 (0.41) SMN1; SMN2CDC7RPS6KA2POLBKDM4E
SCHEMBL4995806 0.84 CDC7 (0.45) CDC7RPS6KA2PARP1PIM1PIM2
SCHEMBL14188389 0.84 CDC7 (0.45) CDC7RPS6KA2PARP1PIM1PIM2
SCHEMBL4994749 0.84 CDC7 (0.46) CDC7RPS6KA2KDM4CPARP1PIM1
SCHEMBL14188567 0.83 CDC7 (0.44) CDC7RPS6KA2PARP1PIM1PIM2

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 SMN1; SMN2 3576/4885CDC7 487/4885RPS6KA2 37/4885

“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.