SCHEMBL5578182

SCHEMBL5578182

CCOC(OCC)c1nc(-c2nn(C3CCCCO3)cc2NC(=O)c2c(F)cccc2F)[nH]c1-c1ccc(N2CCOCC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
BCL3 P20749 1/20 0.33
ABL1 P00519 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CCNE2 O96020 3/20 0.32
CDK4 P11802 3/20 0.32
CCND1 P24385 3/20 0.32
CCNE1 P24864 3/20 0.32
CDK2 P24941 3/20 0.32
TNK2 Q07912 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PDPK1 O15530 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAP4K4 O95819 1/20 0.31
LCK P06239 1/20 0.31

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
SCHEMBL5578219 0.92 ABL1 (0.35) CD274ABL1CDK2MEN1KMT2A
SCHEMBL14511688 0.83 BRAF (0.32) BCL3ABL1CDK2MEN1KMT2A
SCHEMBL5578323 0.78 MAPK14 (0.37) ABL1CDK2MEN1KMT2AALDH1A1
SCHEMBL5578062 0.77 ABL1 (0.36) CD274ABL1CDK2MEN1KMT2A
SCHEMBL5578472 0.76 MAPT (0.34) CD274ABL1CDK2ALDH1A1EGFR
SCHEMBL5578320 0.75 ABL1 (0.37) BCL3ABL1CDK2MEN1KMT2A
SCHEMBL5578211 0.73 ABL1 (0.34) BCL3ABL1CDK2MEN1KMT2A
SCHEMBL5578213 0.71 CCNA2 (0.34) BCL3ABL1RAB9ACDK2MEN1
SCHEMBL8299912 0.71 CDK2 (0.34) BCL3ABL1CDK2BRAF
SCHEMBL5578221 0.70 BRAF (0.33) ABL1CDK2BRAF

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-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 US disclosed
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 US disclosed
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 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-20070105900-A1 Pharmaceutical compounds AURKA, AURKC, CDK1 PARP1 619/4885CD274 1156/4885BCL3 2401/4885

“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.