SCHEMBL19786798

SCHEMBL19786798

CCCC(C)(C)Nc1nc2ccccc2n2c(-c3ccc(O)c(O)c3)cnc12

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
MIF P14174 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ALPL P05186 1/20 0.35
ALPG P10696 1/20 0.35
HTR2C P28335 1/20 0.34
BRD4 O60885 2/20 0.33
MAPT P10636 1/20 0.33
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL17895199 0.82 IKBKB (0.46) ADORA2AADORA1MIFALPLALPG
SCHEMBL17895085 0.78 IKBKB (0.48) ADORA2AADORA1MEN1KMT2ARXFP1
SCHEMBL19786871 0.77 IKBKB (0.40) ADORA2AADORA1MIFMEN1KMT2A
SCHEMBL17895237 0.77 BRD4 (0.47) ADORA2AADORA1MEN1KMT2ARXFP1
SCHEMBL17895072 0.75 BRD4 (0.49) BRD4IKBKBCHUK
SCHEMBL17895242 0.74 ADORA2A (0.45) ADORA2AADORA1MIFIKBKBCHUK
SCHEMBL17895272 0.74 ALDH1A1 (0.37) ADORA2AADORA1MIFALPLALPG
SCHEMBL22099675 0.72 BRD4 (0.40) BRD4
SCHEMBL22099671 0.72 BRD4 (0.40) BRD4
SCHEMBL17895083 0.71 ADORA2A (0.42) ADORA2AADORA1MIFHTR2C

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
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
US-20180016278-A1 Imidazo[1,2-a]quinoxalines and Derivatives Thereof for the Treatment of Cancer AXLR, SATT DU LANGUEDOC ROUSSILLON (FR) 2018-01-18 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 (2 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 ADORA2A 1104/4885ADORA1 1036/4885MIF 3073/4885
US-20180016278-A1 Imidazo[1,2-a]quinoxalines and Derivatives Thereof for the Treatment of Cancer NQO1, NQO2, ABL1 ADORA2A 1104/4885ADORA1 1036/4885MIF 3073/4885

“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.