SCHEMBL4994795

SCHEMBL4994795

COc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc(Cl)c1OCC(=O)Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DHODH Q02127 4/20 0.38
CFTR P13569 1/20 0.38
PDE4D Q08499 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
RXFP1 Q9HBX9 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 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
SCHEMBL4997144 0.91 MIF (0.40) ALDH1A1POLBSMN1; SMN2KDM4EMAPK1
SCHEMBL4991753 0.89 DHODH (0.50) ALDH1A1POLBSMN1; SMN2MAPK1MEN1
SCHEMBL4993374 0.87 CDC7 (0.39) ALDH1A1MEN1KMT2ACFTRPDE4D
SCHEMBL5002851 0.85 CDC7 (0.39) ALDH1A1SMN1; SMN2KDM4EMAPK1NPSR1
SCHEMBL4990572 0.85 CDC7 (0.38) SMN1; SMN2KDM4EMAPK1KMT2ACFTR
SCHEMBL4997586 0.85 KMT2A (0.39) ALDH1A1POLBKDM4EMEN1KMT2A
SCHEMBL5002390 0.85 ALDH1A1 (0.39) ALDH1A1POLBSMN1; SMN2KDM4EMAPK1
SCHEMBL5002369 0.84 CDC7 (0.42) ALDH1A1SMN1; SMN2KDM4EMAPK1MEN1
SCHEMBL5002688 0.84 CDC7 (0.45) MEN1KMT2ACDC7
SCHEMBL4999839 0.83 NSD2 (0.47) ALDH1A1POLBSMN1; SMN2NPSR1MEN1

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 ALDH1A1 4153/4885POLB 3094/4885SMN1; SMN2 3576/4885

“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.