SCHEMBL30779331

SCHEMBL30779331

Cc1cnc2c3ccccc3c3ccccc3c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.43
CYP1A2 P05177 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
ALDH1A1 P00352 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
CCR1 P32246 4/20 0.40
CCR8 P51685 3/20 0.40
CCR5 P51681 3/20 0.40
NPC1 O15118 1/20 0.40
HSP90AA1 P07900 1/20 0.40
GPR3 P46089 1/20 0.39
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RAB9A P51151 1/20 0.36
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CDK5 Q00535 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
SCHEMBL10063498 1.00 CYP2A6 (0.43) CYP2A6CYP1A2L3MBTL1ALDH1A1PDK2
SCHEMBL5568853 0.98 CYP2A6 (0.42) CYP2A6CYP1A2L3MBTL1ALDH1A1PDK2
SCHEMBL29489793 0.98 CYP2A6 (0.42) CYP2A6CYP1A2L3MBTL1ALDH1A1PDK2
SCHEMBL2338637 0.98 CYP2A6 (0.42) CYP2A6CYP1A2L3MBTL1ALDH1A1PDK2
SCHEMBL16920015 0.90 L3MBTL1 (0.45) CYP2A6CYP1A2L3MBTL1ALDH1A1PDK2
SCHEMBL25205392 0.88 L3MBTL1 (0.57) CYP2A6CYP1A2L3MBTL1ALDH1A1PDK2
SCHEMBL31341382 0.88 L3MBTL1 (0.57) CYP2A6CYP1A2L3MBTL1ALDH1A1PDK2
SCHEMBL12722849 0.85 GABRP (0.39) CYP2A6CYP1A2L3MBTL1CCR1CCR8
SCHEMBL12722852 0.85 GABRP (0.39) CYP2A6CYP1A2L3MBTL1CCR1CCR8
SCHEMBL13747898 0.84 GABRP (0.41) CYP2A6CYP1A2L3MBTL1ALDH1A1PDK2

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
CN-119913525-A Electrochemical synthesis method of 3-aryl quinoxalinone compound 新疆大学 2025-05-02 CN disclosed
US-20240081142-A1 LIGHTING DEVICE MATRIX SENSORS, INC. (US) 2024-03-07 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-20240081142-A1 LIGHTING DEVICE EML4, LEF1, LAGE3 CYP2A6 4095/4885CYP1A2 2741/4885L3MBTL1 194/4885

“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.