SCHEMBL24410737

SCHEMBL24410737

O=CCCn1c(=O)c2cccn2c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ TP53 P04637 11/20 0.49
▸ POLB P06746 3/20 0.49
▸ MAPT P10636 7/20 0.47
▸ LMNA P02545 2/20 0.47
▸ GAA P10253 1/20 0.46
▸ ADRB2 P07550 1/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ RXFP1 Q9HBX9 2/20 0.46
▸ CX3CR1 P49238 1/20 0.45

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
SCHEMBL21755744 0.81 POLB (0.52) TP53POLBMAPTLMNARXFP1
SCHEMBL24098714 0.80 MEN1 (0.59) MEN1KMT2ATP53POLBMAPT
Hydrochloric Acid SCHEMBL30381282 0.79 MEN1 (0.58) MEN1KMT2ATP53POLBMAPT
SCHEMBL9110763 0.77 MEN1 (0.56) MEN1KMT2ATP53POLBMAPT
SCHEMBL9110471 0.77 MEN1 (0.56) MEN1KMT2ATP53POLBMAPT
SCHEMBL24098896 0.74 MEN1 (0.68) MEN1KMT2ATP53POLBMAPT
SCHEMBL15043470 0.73 GABRA5 (0.58) MEN1KMT2ATP53POLBMAPT
SCHEMBL18057328 0.72 KMT2A (1.00) MEN1KMT2ATP53POLBMAPT
SCHEMBL24098928 0.70 MAPT (0.68) TP53POLBMAPTLMNARXFP1
SCHEMBL16098656 0.70 FABP4 (0.53) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144845-A1 SUBSTITUTED PYRROLO[1,2-a]QUINOXALIN-4(5H)-ONES AS CX3CR1 ANTAGONISTS UNIV DREXEL (US) 2022-05-12 — — 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-20220144845-A1 SUBSTITUTED PYRROLO[1,2-a]QUINOXALIN-4(5H)-ONES AS CX3CR1 ANTAGONISTS CX3CR1, CCR5, CCL2 MEN1 3473/4885KMT2A 3843/4885TP53 1963/4885

“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.

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