SCHEMBL22099693

SCHEMBL22099693

COC(=O)c1cccc2c1nc(NCCCN)c1ncc(-c3ccc(O)c(O)c3)n12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.41
IKBKB O14920 5/20 0.35
CHUK O15111 4/20 0.35
RIPK1 Q13546 1/20 0.35
SYK P43405 3/20 0.34
TTK P33981 1/20 0.34
CSNK1D P48730 1/20 0.34
LCK P06239 1/20 0.34
CDK11B P21127 1/20 0.34
CDK7 P50613 1/20 0.34
CDK13 Q14004 1/20 0.34
MAP3K19 Q56UN5 1/20 0.34
MYLK4 Q86YV6 1/20 0.34
CDK11A Q9UQ88 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
SCHEMBL22099680 0.97 BRD4 (0.43) BRD4IKBKBCHUKRIPK1
SCHEMBL17895187 0.91 BRD4 (0.37) BRD4IKBKBCHUKSYKTTK
SCHEMBL17895059 0.87 BRD4 (0.40) BRD4IKBKBCHUKSYKCDK11B
SCHEMBL22099669 0.86 LCK (0.37) IKBKBCHUKCSNK1DLCK
SCHEMBL22099685 0.85 IKBKB (0.40) BRD4IKBKBCHUKSYKCSNK1D
SCHEMBL17895202 0.85 BRD4 (0.39) BRD4IKBKBCHUKSYKTTK
SCHEMBL17895194 0.84 BRD4 (0.39) BRD4IKBKBCHUKSYKCSNK1D
SCHEMBL22099681 0.83 CSNK1D (0.38) CSNK1DLCK
SCHEMBL22099689 0.82 BRD4 (0.47) BRD4IKBKBCHUKTTKCSNK1D
SCHEMBL17895067 0.82 BRD4 (0.37) BRD4IKBKBCHUKSYKTTK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240789-B1 NEW IMIDAZO[1,2-A]QUINOXALINES AND DERIVATES THEREOF FOR THE TREATMENT OF CANCER UNIV MONTPELLIER (FR) 2020-07-29 EP claimed
US-10689384-B2 Imidazo[1,2-a]quinoxalines and derivatives thereof for the treatment of cancer UNIVERSITE DE MONTPELLIER (FR) 2020-06-23 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-10689384-B2 Imidazo[1,2-a]quinoxalines and derivatives thereof for the treatment of cancer NQO1, NQO2, ABL1 BRD4 222/4885IKBKB 1832/4885CHUK 1133/4885

“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.